SCHEMBL16979717

SCHEMBL16979717

CB(O)N[C@@H](CC(=O)OC(C)(C)C)C(=O)Nc1cc(N(CCCl)CCCl)ccc1C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 5/20 0.32
▸ EGFR P00533 1/20 0.32
▸ ERBB2 P04626 1/20 0.32
▸ ABL1 P00519 1/20 0.32
▸ ALDH1A1 P00352 3/20 0.31
▸ KCNQ4 P56696 3/20 0.31
▸ KCNQ5 Q9NR82 3/20 0.31
▸ SMN1; SMN2 Q16637 4/20 0.31
▸ MAPT P10636 3/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ L3MBTL1 Q9Y468 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ AAK1 Q2M2I8 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ ALOX15 P16050 1/20 0.30
▸ MAPK1 P28482 1/20 0.30

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
SCHEMBL18472303 1.00 LMNA (0.32) LMNAEGFRERBB2ABL1ALDH1A1
SCHEMBL16970734 0.88 AAK1 (0.40) LMNAALDH1A1KCNQ4KCNQ5SMN1; SMN2
SCHEMBL28515383 0.88 AAK1 (0.40) LMNAALDH1A1KCNQ4KCNQ5SMN1; SMN2
SCHEMBL28515384 0.88 AAK1 (0.40) LMNAALDH1A1KCNQ4KCNQ5SMN1; SMN2
SCHEMBL18268263 0.87 LMNA (0.34) LMNAEGFRERBB2ABL1ALDH1A1
SCHEMBL18472305 0.85 HDAC4 (0.39) LMNAEGFRERBB2SMN1; SMN2
SCHEMBL18472363 0.81 SMN1; SMN2 (0.33) LMNAEGFRERBB2ALDH1A1SMN1; SMN2
SCHEMBL18472354 0.81 SMN1; SMN2 (0.31) LMNAEGFRERBB2ALDH1A1SMN1; SMN2
SCHEMBL18472300 0.81 AAK1 (0.37) LMNAALDH1A1SMN1; SMN2MAPTNPSR1
SCHEMBL17868343 0.80 AAK1 (0.40) LMNAKCNQ4KCNQ5SMN1; SMN2MAPT

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-9861599-B2 Beta-substituted beta-amino acids and analogs as chemotherapeutic agents QUADRIGA BIOSCIENCES, INC. (US) 2018-01-09 — — 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
US-20170036992-A1 BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS AND USES THEREOF QUADRIGA BIOSCIENCES, INC. 2017-02-09 — — 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-9394237-B2 β-substituted β-amino acids and analogs as chemotherapeutic agents QUADRIGA BIOSCIENCES, INC. (US) 2016-07-19 — — 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

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

For each of this compound's patents that has machine-readable text (8 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 LMNA 3589/4885EGFR 1560/4885ERBB2 1169/4885
US-10017459-B2 β-substituted β-amino acids and analogs as chemotherapeutic agents and uses thereof SLC7A1, SLC3A2, SLC43A1 LMNA 3683/4885EGFR 1355/4885ERBB2 1099/4885
US-20150218086-A1 BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS SLC7A1, SLC3A2, SLC1A5 LMNA 3813/4885EGFR 1453/4885ERBB2 919/4885
US-20160289172-A1 BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS SLC7A1, SLC3A2, SLC1A5 LMNA 3813/4885EGFR 1453/4885ERBB2 919/4885
US-20170362166-A1 BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS AND USES THEREOF SLC3A2, SLC7A1, SLC43A1 LMNA 3589/4885EGFR 1560/4885ERBB2 1169/4885
US-20160296484-A1 BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS SLC7A1, SLC3A2, SLC1A5 LMNA 3813/4885EGFR 1453/4885ERBB2 919/4885
US-10034847-B2 Beta-substituted beta-amino acids and analogs as chemotherapeutic agents SLC7A1, SLC3A2, SLC1A5 LMNA 3813/4885EGFR 1453/4885ERBB2 919/4885
US-20160185710-A1 BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS SLC7A1, SLC3A2, SLC1A5 LMNA 3813/4885EGFR 1453/4885ERBB2 919/4885

“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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