SCHEMBL4680762

SCHEMBL4680762

CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)Cc2ccccc2CBr)c(F)c1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 18/20 0.51
F2 P00734 4/20 0.50
PRSS1 P07477 4/20 0.49
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
PRSS2 P07478 3/20 0.47
PRSS3 P35030 3/20 0.47
CARM1 Q86X55 1/20 0.45
F9 P00740 1/20 0.45
PROC P04070 1/20 0.45
KLK1 P06870 1/20 0.45

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
SCHEMBL4681061 0.91 F10 (0.52) F10F2PRSS1CA12CA1
SCHEMBL6838928 0.87 F10 (0.55) F10F2PRSS1PRSS2PRSS3
SCHEMBL6839520 0.82 F10 (0.55) F10F2PRSS1CA1CA2
SCHEMBL6238878 0.80 F10 (0.57) F10F2PRSS1CA1CA2
SCHEMBL6565553 0.77 F10 (0.55) F10F2PRSS1PRSS2PRSS3
SCHEMBL6258631 0.76 F10 (0.61) F10F2PRSS1PRSS2PRSS3
SCHEMBL6838861 0.76 F10 (0.54) F10F2PRSS1PRSS2PRSS3
SCHEMBL3833828 0.76 F10 (0.53) F10F2PRSS1PRSS2PRSS3
SCHEMBL3830430 0.75 F10 (0.52) F10F2PRSS1PRSS2PRSS3
SCHEMBL6239296 0.75 F10 (0.57) F10F2PRSS1PRSS2PRSS3

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
EP-1337251-B1 MONOCYCLIC OR BICYCLIC CARBOCYCLES AND HETEROCYCLES AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2008-08-20 EP disclosed
US-6951872-B2 Monocyclic or bicyclic carbocycles and heterocycles as factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-10-04 US disclosed
US-20040132718-A1 Monocyclic or bicyclic carbocycles and heterocycles as factor Xa inhibitors JACOBSON IRINA C (US) 2004-07-08 US disclosed
US-6710058-B2 USE AS ANTICOAGULANT AGENTS FOR THERAPY AND PROPHYLAXIS OFTHROMBOEMBOLIC DISORDERS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-03-23 US disclosed
EP-1337251-A1 MONOCYCLIC OR BICYCLIC CARBOCYCLES AND HETEROCYCLES AS FACTOR XA INHIBITORS Bristol-Myers Squibb Pharma Company (US) 2003-08-27 EP disclosed
WO-2002102380-A1 MONOCYCLIC OR BICYCLIC CARBOCYCLES AND HETEROCYCLES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-12-27 WO disclosed
US-20020183324-A1 Monocyclic or bicyclic carbocycles and heterocycles as factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-12-05 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-20020183324-A1 Monocyclic or bicyclic carbocycles and heterocycles as factor Xa inhibitors F11, F12, SERPINC1 F10 9/4885F2 6/4885PRSS1 134/4885
US-20040132718-A1 Monocyclic or bicyclic carbocycles and heterocycles as factor Xa inhibitors F11, F12, SERPINC1 F10 9/4885F2 6/4885PRSS1 134/4885

“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.