SCHEMBL1002974

SCHEMBL1002974

Nc1ccc(CCC(=O)O)cc1N

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 12/20 0.53
KEAP1 Q14145 1/20 0.52
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CDC25B P30305 2/20 0.46
PTPRB P23467 1/20 0.46
CDC25A P30304 1/20 0.46
PTEN P60484 1/20 0.46
PTPMT1 Q8WUK0 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46
P4HTM Q9NXG6 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CASP6 P55212 1/20 0.44
RCE1 Q9Y256 1/20 0.44
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
RXRG P48443 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
SCHEMBL4700483 0.89 CYP1A2 (0.57) FFAR1CDC25BALDH1A1CASP6RCE1
SCHEMBL4512051 0.85 GAA (0.51) FFAR1KEAP1CA1CA2CDC25B
SCHEMBL7781855 0.85 KDM4E (0.57) FFAR1KEAP1CA1CA2CDC25B
SCHEMBL11413993 0.85 FFAR1 (0.50) FFAR1KEAP1CA1CA2CDC25B
SCHEMBL23665797 0.83 CYP3A4 (0.55) FFAR1KEAP1CA1CA2FFAR4
SCHEMBL8827540 0.83 ALDH1A1 (0.49) FFAR1KEAP1CA1CA2CDC25B
SCHEMBL11266679 0.83 FFAR1 (0.54) FFAR1KEAP1CA1CA2CDC25B
SCHEMBL1931989 0.83 FFAR1 (0.50) FFAR1KEAP1CA1CA2CDC25B
SCHEMBL17926089 0.83 FFAR1 (0.54) FFAR1KEAP1CA1CA2CDC25B
SCHEMBL7282363 0.83 SKP2 (0.56) FFAR1KEAP1CA1CA2FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10703727-B2 Method for preparing substituted 3-(2-anilino-1-cyclohexyl-1H-benzimidazol-5-yl)propanoic acid derivatives BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-07-07 US disclosed
US-20180222871-A1 METHOD FOR PREPARING SUBSTITUTED 3-(2-ANILINO-1-CYCLOHEXYL-1H-BENZIMIDAZOL-5-YL)PROPANOIC ACID DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-08-09 US disclosed
US-7868135-B2 Compositions of lipopeptide antibiotic derivatives and methods of use thereof BIOWEST THERAPEUTICS INC. (CA) 2011-01-11 US disclosed
EP-2147925-A1 Compositions of lipopeptide antibiotic derivatives and methods of use thereof MIGENIX INC. (CA) 2010-01-27 EP disclosed
US-20080171783-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE MIGENIX INC. (CA) 2008-07-17 US disclosed
EP-1910279-A2 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF MIGENIX INC. (CA) 2008-04-16 EP disclosed
US-20070021434-A1 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF MIGENIX INC. (CA) 2007-01-25 US disclosed
WO-2007002639-A2 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF MIGENIX INC. (CA) 2007-01-04 WO disclosed
US-20050153876-A1 Compositions of lipopeptide antibiotic derivatives and methods of use thereof MIGENIX INC. (CA) 2005-07-14 US disclosed
EP-0250676-B1 NON-ENZYMATIC IMMUNOHISTOCHEMICAL STAINING SYSTEM AND REAGENTS Immunomedics, Inc. (US) 1993-03-10 EP disclosed
US-4792521-A Non-enzymatic immunohistochemical staining system and reagents IMMUNOMEDICS, INC. (US) 1988-12-20 US disclosed
EP-0250676-A2 Non-enzymatic immunohistochemical staining system and reagents Immunomedics, Inc. (US) 1988-01-07 EP 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 (5 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-20070021434-A1 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF HAVCR2, ADAR, NSUN2 FFAR1 887/4885KEAP1 2576/4885CA1 4464/4885
US-10703727-B2 Method for preparing substituted 3-(2-anilino-1-cyclohexyl-1H-benzimidazol-5-yl)propanoic acid derivatives HCAR3, AKR1C3, HCAR2 FFAR1 9/4885KEAP1 1874/4885CA1 514/4885
US-20050153876-A1 Compositions of lipopeptide antibiotic derivatives and methods of use thereof NRDC, NOD2, NGLY1 FFAR1 2626/4885KEAP1 2843/4885CA1 4778/4885
US-20180222871-A1 METHOD FOR PREPARING SUBSTITUTED 3-(2-ANILINO-1-CYCLOHEXYL-1H-BENZIMIDAZOL-5-YL)PROPANOIC ACID DERIVATIVES HCAR3, AKR1C3, HCAR2 FFAR1 9/4885KEAP1 1874/4885CA1 514/4885
US-20080171783-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE POLQ, POLI, POLH FFAR1 4076/4885KEAP1 3833/4885CA1 4583/4885

“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.