SCHEMBL16974988

SCHEMBL16974988

Cc1ccc(N(CCCl)OCCCl)cc1C[C@H](CC(=O)O)NC(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.35
▸ AAK1 Q2M2I8 2/20 0.33
▸ IDO1 P14902 1/20 0.32
▸ SYK P43405 1/20 0.32
▸ KLK5 Q9Y337 1/20 0.31
▸ ACE P12821 1/20 0.31
▸ ALDH1A1 P00352 3/20 0.31
▸ LMNA P02545 3/20 0.31
▸ NPSR1 Q6W5P4 3/20 0.31
▸ HSP90AA1 P07900 2/20 0.31
▸ XBP1 P17861 2/20 0.31
▸ HTT P42858 2/20 0.31
▸ HPGD P15428 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ JAK2 O60674 1/20 0.31
▸ S1PR4 O95977 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ CTSL P07711 2/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23877855 1.00 ATM (0.35) ATMAAK1IDO1SYKKLK5
SCHEMBL16970644 0.94 AAK1 (0.34) ATMAAK1SYKALDH1A1LMNA
SCHEMBL16974985 0.88 IDO1 (0.40) ATMAAK1IDO1SYKKLK5
SCHEMBL16974981 0.88 IDO1 (0.40) ATMAAK1IDO1SYKKLK5
SCHEMBL18445860 0.88 IDO1 (0.40) ATMAAK1IDO1SYKKLK5
SCHEMBL16970649 0.85 KLK5 (0.33) ATMKLK5ACEALDH1A1LMNA
SCHEMBL18428009 0.84 IDO1 (0.38) ATMAAK1IDO1SYKKLK5
SCHEMBL28521357 0.84 IDO1 (0.38) ATMAAK1IDO1SYKKLK5
SCHEMBL18428069 0.84 IDO1 (0.37) ATMAAK1IDO1SYKKLK5
SCHEMBL16974970 0.84 IDO1 (0.37) ATMAAK1IDO1SYKKLK5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3102195-B1 BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS QUADRIGA BIOSCIENCES INC (US) 2021-10-06 — — EP disclosed
CN-108026026-B Beta-substituted beta-amino acids and analogs as chemotherapeutic agents and uses thereof 夸德里加生物科学公司 2021-02-09 — — CN disclosed
US-20190185413-A1 BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS AND USES THEREOF QUADRIGA BIOSCIENCES, INC. 2019-06-20 — — US disclosed
US-10246406-B2 Beta-substituted beta-amino acids and analogs as chemotherapeutic agents and uses thereof QUADRIGA BIOSCIENCES, INC. (US) 2019-04-02 — — US disclosed
US-10245246-B2 β-substituted β-amino acids and analogs as chemotherapeutic agents QUADRIGA BIOSCIENCES, INC. (US) 2019-04-02 — — US disclosed
US-20180297935-A1 BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS AND USES THEREOF QUADRIGA BIOSCIENCES, INC. 2018-10-18 — — US disclosed
US-10034847-B2 Beta-substituted beta-amino acids and analogs as chemotherapeutic agents QUADRIGA BIOSCIENCES, INC. (US) 2018-07-31 — — US disclosed
US-10017459-B2 β-substituted β-amino acids and analogs as chemotherapeutic agents and uses thereof QUADRIGA BIOSCIENCES, INC. (US) 2018-07-10 — — US disclosed
EP-3331851-A1 BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS AND USES THEREOF Quadriga Biosciences, Inc. (US) 2018-06-13 — — EP disclosed
US-20180078517-A1 BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS QUADRIGA BIOSCIENCES, INC. 2018-03-22 — — US disclosed
US-20170362166-A1 BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS AND USES THEREOF QUADRIGA BIOSCIENCES, INC. 2017-12-21 — — US disclosed
US-9783487-B2 Beta-substituted beta-amino acids and analogs as chemotherapeutic agents and uses thereof QUADRIGA BIOSCIENCES, INC. (US) 2017-10-10 — — US disclosed
WO-2017024009-A1 BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS AND USES THEREOF QUADRIGA BIOSCIENCES, INC. (US) 2017-02-09 — — WO disclosed
US-20170036992-A1 BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS AND USES THEREOF QUADRIGA BIOSCIENCES, INC. 2017-02-09 — — US disclosed
EP-3102195-A1 BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS Quadriga Biosciences, Inc. (US) 2016-12-14 — — EP disclosed
US-20160346240-A1 METHODS OF CHEMOTHERAPY USING CHEMOTHERAPEUTIC AGENTS BASED ON BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS QUADRIGA BIOSCIENCES, INC. 2016-12-01 — — US disclosed
US-20160296484-A1 BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS QUADRIGA BIOSCIENCES, INC. 2016-10-13 — — US disclosed
US-20160289172-A1 BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS QUADRIGA BIOSCIENCES, INC. 2016-10-06 — — US disclosed
US-20160185710-A1 BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS QUADRIGA BIOSCIENCES, INC. 2016-06-30 — — US disclosed
WO-2015117147-A1 BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS QUADRIGA BIOSCIENCES, INC. (US) 2015-08-06 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170036992-A1 BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS AND USES THEREOF SLC3A2, SLC7A1, SLC43A1 ATM 3204/4885AAK1 1370/4885IDO1 1294/4885
US-10017459-B2 β-substituted β-amino acids and analogs as chemotherapeutic agents and uses thereof SLC7A1, SLC3A2, SLC43A1 ATM 3016/4885AAK1 1361/4885IDO1 1311/4885
US-20180297935-A1 BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS AND USES THEREOF SLC3A2, SLC7A1, SLC43A1 ATM 3204/4885AAK1 1370/4885IDO1 1294/4885
US-20160289172-A1 BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS SLC7A1, SLC3A2, SLC1A5 ATM 3249/4885AAK1 1370/4885IDO1 1381/4885
US-10245246-B2 β-substituted β-amino acids and analogs as chemotherapeutic agents SLC7A1, SLC3A2, SLC1A5 ATM 3071/4885AAK1 1360/4885IDO1 1409/4885
US-20170362166-A1 BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS AND USES THEREOF SLC3A2, SLC7A1, SLC43A1 ATM 3204/4885AAK1 1370/4885IDO1 1294/4885
US-20160346240-A1 METHODS OF CHEMOTHERAPY USING CHEMOTHERAPEUTIC AGENTS BASED ON BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS BCAT1, CDC25C, BCAT2 ATM 365/4885AAK1 2098/4885IDO1 1881/4885
US-20160296484-A1 BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS SLC7A1, SLC3A2, SLC1A5 ATM 3249/4885AAK1 1370/4885IDO1 1381/4885
US-10246406-B2 Beta-substituted beta-amino acids and analogs as chemotherapeutic agents and uses thereof SLC3A2, SLC7A1, SLC43A1 ATM 3204/4885AAK1 1370/4885IDO1 1294/4885
US-20190185413-A1 BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS AND USES THEREOF SLC3A2, SLC7A1, SLC43A1 ATM 3204/4885AAK1 1370/4885IDO1 1294/4885
US-20180078517-A1 BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS SLC7A1, SLC3A2, SLC1A5 ATM 3249/4885AAK1 1370/4885IDO1 1381/4885
US-10034847-B2 Beta-substituted beta-amino acids and analogs as chemotherapeutic agents SLC7A1, SLC3A2, SLC1A5 ATM 3249/4885AAK1 1370/4885IDO1 1381/4885
US-20160185710-A1 BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS SLC7A1, SLC3A2, SLC1A5 ATM 3249/4885AAK1 1370/4885IDO1 1381/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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