SCHEMBL1196433

SCHEMBL1196433

COC(=O)c1ccc(Cl)cc1C=CC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.54
ALDH1A1 P00352 3/20 0.47
HPGD P15428 3/20 0.47
GLA P06280 1/20 0.47
PLA2G1B P04054 1/20 0.47
MAPT P10636 1/20 0.47
ATG4B Q9Y4P1 1/20 0.47
HTT P42858 1/20 0.45
KDM4E B2RXH2 2/20 0.45
ATM Q13315 1/20 0.45
NR4A2 P43354 2/20 0.44
LMNA P02545 1/20 0.44
ITGB2 P05107 1/20 0.44
ICAM1 P05362 1/20 0.44
ITGAL P20701 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
TBXA2R P21731 1/20 0.44
PTGFR P43088 1/20 0.44
PTGER3 P43115 1/20 0.44
PTGER2 P43116 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
SCHEMBL1196428 1.00 ABL1 (0.54) ABL1ALDH1A1HPGDGLAPLA2G1B
SCHEMBL7071713 0.88 ABL1 (0.54) ABL1ALDH1A1HPGDGLAMAPT
SCHEMBL27577339 0.88 ALDH1A1 (0.50) ABL1ALDH1A1HPGDGLAPLA2G1B
SCHEMBL7071709 0.88 ABL1 (0.54) ABL1ALDH1A1HPGDGLAMAPT
SCHEMBL17913246 0.85 RXFP1 (0.48) ABL1ALDH1A1HPGDGLAPLA2G1B
SCHEMBL17913245 0.85 RXFP1 (0.48) ABL1ALDH1A1HPGDGLAPLA2G1B
SCHEMBL7770050 0.84 MAPT (0.44) ABL1ALDH1A1HPGDPLA2G1BMAPT
SCHEMBL615861 0.83 MAPT (0.47) ALDH1A1PLA2G1BMAPTATG4BKDM4E
SCHEMBL615860 0.83 MAPT (0.47) ALDH1A1PLA2G1BMAPTATG4BKDM4E
SCHEMBL30480708 0.83 MAPT (0.47) ALDH1A1PLA2G1BMAPTATG4BKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1105367-B1 SUBSTITUTED CINNAMIC ACIDS AND CINNAMIC ACID ESTERS BAYER AG (DE) 2003-06-18 EP claimed
US-6455725-B1 Substituted cinnamic acids and cinnamic acid esters BAYER AKTIENGESELLSCHAFT (DE) 2002-09-24 US claimed
US-8604056-B2 Arylpropionamide, arylacrylamide, arylpropynamide, or arylmethylurea analogs as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-12-10 US disclosed
US-20120270853-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-10-25 US disclosed
US-8252830-B2 Arylpropionamide, arylacrylamide, arylpropynamide, or arylmethylurea analogs as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-08-28 US disclosed
EP-1981854-B1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2011-06-01 EP disclosed
US-20110028446-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2011-02-03 US disclosed
US-7842708-B2 Arylpropionamide, arylacrylamide, arylpropynamide, or arylmethylurea analogs as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-11-30 US disclosed
US-20100022506-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-01-28 US disclosed
US-7626039-B2 Arylpropionamide, arylacrylamide, ayrlpropynamide, or arylmethylurea analogs as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-12-01 US disclosed
EP-1981854-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS Brystol-Myers Squibb Company (US) 2008-10-22 EP disclosed
US-20080161373-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB CO. 2008-07-03 US disclosed
WO-2007070826-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-21 WO disclosed
US-6455725-B1 Substituted cinnamic acids and cinnamic acid esters BAYER AKTIENGESELLSCHAFT (DE) 2002-09-24 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 (4 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-20120270853-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS TFPI, F11, F12 ABL1 467/4885ALDH1A1 1874/4885HPGD 2927/4885
US-20080161373-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS TFPI, F11, F12 ABL1 467/4885ALDH1A1 1874/4885HPGD 2927/4885
US-20100022506-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS TFPI, F11, F12 ABL1 467/4885ALDH1A1 1874/4885HPGD 2927/4885
US-20110028446-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS TFPI, F11, F12 ABL1 467/4885ALDH1A1 1874/4885HPGD 2927/4885

“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.