SCHEMBL6285852

SCHEMBL6285852

COCc1onc(-c2cccc(C#N)c2)c1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
POLB P06746 1/20 0.48
F11 P03951 1/20 0.41
PIN1 Q13526 1/20 0.41
XDH P47989 1/20 0.41
SLC22A12 Q96S37 1/20 0.41
F2 P00734 2/20 0.40
F10 P00742 2/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
CYP1A2 P05177 4/20 0.39
CYP3A4 P08684 3/20 0.39
CYP2C9 P11712 3/20 0.39
HSD17B10 Q99714 2/20 0.39
CYP2C19 P33261 2/20 0.39
CASP1 P29466 2/20 0.39
ALOX5 P09917 1/20 0.39
ALOX5AP P20292 1/20 0.39
PDE4A P27815 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
SCHEMBL6283143 0.90 ALDH1A1 (0.47) ALDH1A1POLBF2F10TP53
SCHEMBL2470830 0.83 PTGS1 (0.54) ALDH1A1POLBF2F10CYP1A2
Hydrochloric Acid SCHEMBL2471767 0.81 PTGS1 (0.52) ALDH1A1POLBF2F10CYP1A2
SCHEMBL7458257 0.75 ALDH1A1 (0.62) ALDH1A1POLBTP53HPGDHTT
SCHEMBL2471415 0.74 LMNA (0.53) ALDH1A1TP53PTGS1MEN1KMT2A
SCHEMBL4971628 0.74 PTGS1 (0.52) POLBF2F10HTTCYP1A2
Hydrochloric Acid SCHEMBL2475009 0.73 LMNA (0.52) ALDH1A1TP53PTGS1MEN1KMT2A
SCHEMBL2471766 0.73 PTGS1 (0.51) ALDH1A1POLBF2F10CYP1A2
SCHEMBL2470848 0.73 PTGS1 (0.66) ALDH1A1POLBTP53HPGDHSD17B10
Isoxazole SCHEMBL7511437 0.73 ALDH1A1 (0.56) ALDH1A1POLBF11PIN1XDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6962935-B2 Oxygen or sulfur containing heteroaromatics as factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-11-08 US disclosed
US-20040073029-A1 Oxygen or sulfur containing heteroaromatics as factor Xa inhibitors PRUITT JAMES RUSSELL (US) 2004-04-15 US disclosed
US-6569874-B1 Such as 2-acetylamino-4-(3-amidinophenyl)-5-((2'-amino-sulfonyl-(1,1')-biphen-4 -yl)aminocarbonyl)thiazole; for treatment of thromboembolic disorders BRISTOL-MYERS SQUIBB COMPANY 2003-05-27 US disclosed
EP-0946528-B1 OXYGEN OR SULFUR CONTAINING 5-MEMBERED HETEROAROMATICS AS FACTOR Xa INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2003-04-09 EP disclosed
US-6187797-B1 ANTICOAGULANTS; TRYPSINE-LIKE SERINE PROTEASE INHIBITORS DUPONT PHARMACEUTICALS COMPANY 2001-02-13 US disclosed
EP-0946528-A2 OXYGEN OR SULFUR CONTAINING 5-MEMBERED HETEROAROMATICS AS FACTOR Xa INHIBITORS Du Pont Pharmaceuticals Company (US) 1999-10-06 EP disclosed
WO-1998028282-A2 OXYGEN OR SULFUR CONTAINING 5-MEMBERED HETEROAROMATICS AS FACTOR Xa INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 1998-07-02 WO 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-20040073029-A1 Oxygen or sulfur containing heteroaromatics as factor Xa inhibitors F12, XDH, F2 ALDH1A1 596/4885POLB 2486/4885F11 4/4885

“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.