SCHEMBL16970727

SCHEMBL16970727

Cc1ccc(N(CCCl)CCCl)cc1NC(=O)[C@@H](N)CC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 1/20 0.44
▸ CYP3A4 P08684 3/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ HIF1A Q16665 3/20 0.44
▸ LMNA P02545 3/20 0.44
▸ ALOX15 P16050 2/20 0.44
▸ NFKB1 P19838 2/20 0.44
▸ THPO P40225 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ PMP22 Q01453 2/20 0.44
▸ PTGS1 P23219 2/20 0.44
▸ ABCB11 O95342 1/20 0.44
▸ CHRM2 P08172 1/20 0.44
▸ ADRA2A P08913 1/20 0.44
▸ CHRM1 P11229 1/20 0.44
▸ ACHE P22303 1/20 0.44
▸ OPRM1 P35372 1/20 0.44
▸ DRD3 P35462 1/20 0.44
▸ SLC6A3 Q01959 1/20 0.44

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
SCHEMBL19715008 1.00 IDO1 (0.44) IDO1CYP3A4ALDH1A1SMN1; SMN2HIF1A
SCHEMBL18428002 1.00 IDO1 (0.44) IDO1CYP3A4ALDH1A1SMN1; SMN2HIF1A
SCHEMBL18268262 0.88 CYP3A4 (0.39) IDO1CYP3A4ALDH1A1SMN1; SMN2HIF1A
SCHEMBL16970784 0.79 GAA (0.46) ALDH1A1SMN1; SMN2LMNAMAPTMEN1
SCHEMBL19715004 0.79 LTA4H (0.44) IDO1CYP3A4ALDH1A1SMN1; SMN2HIF1A
SCHEMBL18428012 0.79 LTA4H (0.44) IDO1CYP3A4ALDH1A1SMN1; SMN2HIF1A
SCHEMBL16970782 0.79 LMNA (0.45) CYP3A4ALDH1A1SMN1; SMN2HIF1ALMNA
SCHEMBL17868343 0.78 AAK1 (0.40) SMN1; SMN2LMNAMAPTHDAC3HDAC4
SCHEMBL18428019 0.78 AAK1 (0.40) SMN1; SMN2LMNAMAPTHDAC3HDAC4
SCHEMBL16970719 0.78 IDO1 (0.49) IDO1CYP3A4ALDH1A1SMN1; SMN2HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3331851-A1 BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS AND USES THEREOF Quadriga Biosciences, Inc. (US) 2018-06-13 — — EP claimed
WO-2017024009-A1 BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS AND USES THEREOF QUADRIGA BIOSCIENCES, INC. (US) 2017-02-09 — — WO claimed
US-20170036992-A1 BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS AND USES THEREOF QUADRIGA BIOSCIENCES, INC. 2017-02-09 — — US claimed
EP-3102195-A1 BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS Quadriga Biosciences, Inc. (US) 2016-12-14 — — EP claimed
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 claimed
US-20160289172-A1 BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS QUADRIGA BIOSCIENCES, INC. 2016-10-06 — — US claimed
US-9394237-B2 β-substituted β-amino acids and analogs as chemotherapeutic agents QUADRIGA BIOSCIENCES, INC. (US) 2016-07-19 — — US claimed
US-20150218086-A1 BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS QUADRIGA BIOSCIENCES, INC. 2015-08-06 — — US claimed
WO-2015117147-A1 BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS QUADRIGA BIOSCIENCES, INC. (US) 2015-08-06 — — WO claimed
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-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-20160185710-A1 BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS QUADRIGA BIOSCIENCES, INC. 2016-06-30 — — US disclosed
US-20160185710-A1 BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS QUADRIGA BIOSCIENCES, INC. 2016-06-30 — — US disclosed
US-20150218086-A1 BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS QUADRIGA BIOSCIENCES, INC. 2015-08-06 — — US disclosed
US-20150218086-A1 BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS QUADRIGA BIOSCIENCES, INC. 2015-08-06 — — US disclosed
WO-2015117147-A1 BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS QUADRIGA BIOSCIENCES, INC. (US) 2015-08-06 — — WO disclosed
US-20150218086-A1 BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS QUADRIGA BIOSCIENCES, INC. 2015-08-06 — — US 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 (7 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 IDO1 1294/4885CYP3A4 2071/4885ALDH1A1 501/4885
US-20150218086-A1 BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS SLC7A1, SLC3A2, SLC1A5 IDO1 1381/4885CYP3A4 1711/4885ALDH1A1 440/4885
US-20160289172-A1 BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS SLC7A1, SLC3A2, SLC1A5 IDO1 1381/4885CYP3A4 1711/4885ALDH1A1 440/4885
US-20160346240-A1 METHODS OF CHEMOTHERAPY USING CHEMOTHERAPEUTIC AGENTS BASED ON BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS BCAT1, CDC25C, BCAT2 IDO1 1881/4885CYP3A4 3139/4885ALDH1A1 688/4885
US-10246406-B2 Beta-substituted beta-amino acids and analogs as chemotherapeutic agents and uses thereof SLC3A2, SLC7A1, SLC43A1 IDO1 1294/4885CYP3A4 2071/4885ALDH1A1 501/4885
US-20190185413-A1 BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS AND USES THEREOF SLC3A2, SLC7A1, SLC43A1 IDO1 1294/4885CYP3A4 2071/4885ALDH1A1 501/4885
US-20160185710-A1 BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS SLC7A1, SLC3A2, SLC1A5 IDO1 1381/4885CYP3A4 1711/4885ALDH1A1 440/4885

“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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