SCHEMBL5037211

SCHEMBL5037211

CCOc1cc(C(Nc2ccc(C#N)cc2)C(=O)NCc2ccccc2)ccc1OC(C)C

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F7 P08709 20/20 0.66
F10 P00742 17/20 0.66
F3 P13726 17/20 0.66
F2 P00734 15/20 0.66
F11 P03951 10/20 0.66
PRSS1 P07477 4/20 0.64
PRSS2 P07478 1/20 0.49
PRSS3 P35030 1/20 0.49

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
SCHEMBL7150980 0.90 F7 (0.74) F7F10F3F2F11
SCHEMBL7150990 0.90 F7 (0.74) F7F10F3F2F11
SCHEMBL7150985 0.90 F7 (0.74) F7F10F3F2F11
SCHEMBL5034393 0.88 F7 (0.70) F7F10F3F2F11
SCHEMBL3856774 0.86 F7 (0.52) F7F10F3F2F11
SCHEMBL7443963 0.85 F7 (0.49) F7F10F3F2F11
SCHEMBL5044585 0.84 F7 (0.75) F7F10F3F2PRSS1
SCHEMBL4333411 0.83 F7 (0.49) F7F10F3F2F11
SCHEMBL7142569 0.82 F7 (0.73) F7F10F3F2F11
SCHEMBL7142570 0.82 F7 (0.73) F7F10F3F2F11

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
EP-1594845-A4 BENZENE ACETAMIDE COMPOUNDS USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-05-21 EP disclosed
US-7144895-B2 Benzene acetamide compounds useful as serine protease inhibitors BRISTOL-MYERS SQUIBB CO. (US) 2006-12-05 US disclosed
EP-1594845-A2 BENZENE ACETAMIDE COMPOUNDS USEFUL AS SERINE PROTEASE INHIBITORS Bristol-Myers Squibb Company (US) 2005-11-16 EP disclosed
US-20040176375-A1 Benzene acetamide compounds useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-09-09 US disclosed
WO-2004072102-A2 BENZENE ACETAMIDE COMPOUNDS USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-08-26 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-20040176375-A1 Benzene acetamide compounds useful as serine protease inhibitors CTRL, API5, PRSS1 F7 575/4885F10 1140/4885F3 814/4885

“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.