SCHEMBL6282287

SCHEMBL6282287

Nc1ccc(-c2ccccc2SC(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 3/20 0.50
FEN1 P39748 3/20 0.50
TDP1 Q9NUW8 3/20 0.48
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 2/20 0.48
CYP3A4 P08684 2/20 0.40
HSD17B10 Q99714 2/20 0.40
TAAR1 Q96RJ0 1/20 0.40
PDK2 Q15119 3/20 0.40
KIF11 P52732 2/20 0.39
DRD1 P21728 1/20 0.37
SLC22A12 Q96S37 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
OPRK1 P41145 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NCOA1 Q15788 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36

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
SCHEMBL5175215 0.84 ALOX5AP (0.44) ALOX5APFEN1ALDH1A1KDM4EHSD17B10
SCHEMBL7449404 0.79 ALOX5AP (0.42) ALOX5APFEN1TDP1ALDH1A1KDM4E
SCHEMBL1270076 0.78 CYP3A4 (0.48) ALOX5APFEN1TDP1ALDH1A1KDM4E
SCHEMBL4250948 0.76 ALDH1A1 (0.41) ALOX5APFEN1TDP1ALDH1A1KDM4E
SCHEMBL2785165 0.75 ALOX5AP (0.46) ALOX5APFEN1TDP1ALDH1A1KDM4E
SCHEMBL27993955 0.73 CYP3A4 (0.43) TDP1ALDH1A1KDM4ECYP3A4HSD17B10
SCHEMBL9246341 0.72 HSD17B10 (0.63) TDP1ALDH1A1KDM4ECYP3A4HSD17B10
SCHEMBL3787013 0.72 CYP3A4 (0.46) ALOX5APFEN1TDP1ALDH1A1KDM4E
SCHEMBL29549836 0.71 MAPT (0.54) ALOX5APFEN1TDP1ALDH1A1KDM4E
SCHEMBL398169 0.71 MAPT (0.54) ALOX5APFEN1TDP1ALDH1A1KDM4E

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 5 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

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 ALOX5AP 2392/4885FEN1 1513/4885TDP1 2139/4885

“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.