SCHEMBL408668

SCHEMBL408668

Cc1ccccc1-n1cc(C(=O)O)c(C(F)(F)F)n1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 11/20 0.43
NOTUM Q6P988 2/20 0.43
ADORA2B P29275 1/20 0.43
ADORA1 P30542 1/20 0.43
ALDH1A1 P00352 1/20 0.41
MYC P01106 1/20 0.39
NR4A1 P22736 1/20 0.39

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
SCHEMBL408203 0.84 DGAT1 (0.54) DGAT1ALDH1A1MYC
SCHEMBL408713 0.84 NOTUM (0.43) DGAT1NOTUMMYC
SCHEMBL408728 0.83 DGAT1 (0.47) DGAT1NOTUMALDH1A1MYC
SCHEMBL407653 0.83 DGAT1 (0.49) DGAT1ALDH1A1
SCHEMBL408670 0.83 DGAT1 (0.44) DGAT1ALDH1A1
SCHEMBL408273 0.81 DGAT1 (0.54) DGAT1ALDH1A1
SCHEMBL408204 0.76 DGAT1 (0.41) DGAT1NOTUMMYC
SCHEMBL28019972 0.76 DGAT1 (0.49) DGAT1NOTUMALDH1A1
SCHEMBL407667 0.75 DGAT1 (0.55) DGAT1ALDH1A1
SCHEMBL4296493 0.74 DGAT1 (0.42) 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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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
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
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
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
US-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 US disclosed
US-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 US disclosed
US-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 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 (2 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 1/4885NOTUM 70/4885ADORA2B 1425/4885
US-20120065196-A1 AMIDE COMPOUNDS DGAT2, DGAT1, DLAT DGAT1 2/4885NOTUM 255/4885ADORA2B 2099/4885

“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.