SCHEMBL16527741

SCHEMBL16527741

O=C(O)CC1CCC(c2ccc(C(=O)NCCC(=O)Nc3ccc([C@H]4CC[C@H](CC(=O)O)CC4)cc3)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 16/20 0.53
▸ IDO1 P14902 1/20 0.51
▸ HDAC3 O15379 2/20 0.49
▸ HDAC11 Q96DB2 1/20 0.49
▸ HDAC8 Q9BY41 1/20 0.49
▸ HDAC6 Q9UBN7 1/20 0.49
▸ ITGB3 P05106 1/20 0.47
▸ ITGA2B P08514 1/20 0.47

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
SCHEMBL16527742 1.00 DGAT1 (0.53) DGAT1IDO1HDAC3HDAC11HDAC8
SCHEMBL16527560 0.95 IDO1 (0.60) DGAT1IDO1
SCHEMBL16542660 0.95 IDO1 (0.60) DGAT1IDO1
SCHEMBL16527593 0.94 DGAT1 (0.56) DGAT1IDO1HDAC3
SCHEMBL16527594 0.94 DGAT1 (0.56) DGAT1IDO1HDAC3
SCHEMBL16542737 0.91 GCGR (0.50) DGAT1IDO1
SCHEMBL16527620 0.91 GCGR (0.50) DGAT1IDO1
SCHEMBL16527590 0.90 DGAT1 (0.51) DGAT1
SCHEMBL16527711 0.90 DGAT1 (0.49) DGAT1IDO1
SCHEMBL16527419 0.90 DGAT1 (0.47) DGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104254519-B Beta-alanine derivatives, pharmaceutically acceptable salts thereof, and pharmaceutical compositions containing the same as the active ingredient KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2016-04-20 — — CN claimed
US-20150329504-A1 NOVEL BETA-ALANINE DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2015-11-19 — — US claimed
EP-2842938-A1 NOVEL BETA-ALANINE DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT Korea Research Institute of Chemical Technology (KR) 2015-03-04 — — EP claimed
CN-104254519-A Novel beta-alanine derivative, pharmaceutically acceptable salt thereof, and pharmaceutical composition containing same as active ingredient KOREA RES INST CHEM TECH 2014-12-31 — — CN claimed
US-9321728-B2 Beta-alanine derivatives, pharmaceutically acceptable salts thereof, and pharmaceutical composition comprising same as active ingredient KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2016-04-26 — — US disclosed
CN-104254519-B Beta-alanine derivatives, pharmaceutically acceptable salts thereof, and pharmaceutical compositions containing the same as the active ingredient KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2016-04-20 — — CN disclosed
US-20150329504-A1 NOVEL BETA-ALANINE DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2015-11-19 — — US disclosed
EP-2842938-A1 NOVEL BETA-ALANINE DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT Korea Research Institute of Chemical Technology (KR) 2015-03-04 — — EP disclosed
CN-104254519-A Novel beta-alanine derivative, pharmaceutically acceptable salt thereof, and pharmaceutical composition containing same as active ingredient KOREA RES INST CHEM TECH 2014-12-31 — — CN 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 (1 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-20150329504-A1 NOVEL BETA-ALANINE DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT DGAT1, GOT1, ACAT2 DGAT1 1/4885IDO1 1446/4885HDAC3 1398/4885

“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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