SCHEMBL5097161

SCHEMBL5097161

COC(=O)c1cc(OC)ccc1-n1nc(C(F)(F)F)cc1C(=O)Nc1ccc(-c2ccccc2S(C)(=O)=O)cc1F

nearest known ligand 0.79

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F10 P00742 19/20 0.79
F2 P00734 9/20 0.79
PRSS1 P07477 4/20 0.63
PROC P04070 4/20 0.63
PRSS2 P07478 3/20 0.63
PRSS3 P35030 3/20 0.63
F9 P00740 3/20 0.63
KLK1 P06870 1/20 0.63
KLKB1 P03952 2/20 0.62
CFH P08603 1/20 0.62
PLAU P00749 1/20 0.59
CTRB1 P17538 1/20 0.59

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
SCHEMBL5100150 0.94 F10 (0.79) F10F2PRSS1PROCPRSS2
SCHEMBL14176283 0.93 F10 (0.80) F10F2PRSS1PROCPRSS2
SCHEMBL14176284 0.90 F10 (0.74) F10F2PRSS1PROCPRSS2
SCHEMBL14176279 0.87 F10 (0.71) F10F2PRSS1PROCPRSS2
SCHEMBL14176262 0.87 F10 (0.71) F10F2PRSS1PROCPRSS2
SCHEMBL14176260 0.87 F10 (0.70) F10F2PRSS1PROCPRSS2
SCHEMBL14176273 0.87 F10 (0.70) F10F2PRSS1PROCPRSS2
SCHEMBL14176261 0.87 F10 (0.70) F10F2PRSS1PROCPRSS2
SCHEMBL14176239 0.87 F10 (0.70) F10F2PRSS1PROCPRSS2
SCHEMBL14176259 0.86 F10 (0.69) F10F2PRSS1PROCPRSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7381732-B2 Pyrazolobenzamides and derivatives as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-06-03 US disclosed
US-7381732-B2 Pyrazolobenzamides and derivatives as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-06-03 US disclosed
US-7381732-B2 Pyrazolobenzamides and derivatives as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-06-03 US disclosed
EP-1812403-A2 PYRAZOLOBENZAMIDES AND DERIVATIVES AS FACTOR XA INHIBITORS Brystol-Myers Squibb Company (US) 2007-08-01 EP disclosed
WO-2006047528-A2 PYRAZOLOBENZAMIDES AND DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-05-04 WO disclosed
US-20060089496-A1 Pyrazolobenzamides and derivatives as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2006-04-27 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-20060089496-A1 Pyrazolobenzamides and derivatives as factor Xa inhibitors F12, TFPI, PRSS1 F10 50/4885F2 11/4885PRSS1 3/4885

“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.