SCHEMBL3077277

SCHEMBL3077277

COc1cc(C(Nc2ccc(F)c(C(N)=O)c2)C(=O)O)ccc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 5/20 0.47
PRSS1 P07477 5/20 0.47
F7 P08709 5/20 0.47
F2 P00734 4/20 0.47
PRSS2 P07478 3/20 0.47
F3 P13726 3/20 0.47
PRSS3 P35030 3/20 0.47
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
ACHE P22303 1/20 0.40
PDE4B Q07343 3/20 0.39
CSF1R P07333 2/20 0.39
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
FABP4 P15090 1/20 0.38
GRM4 Q14833 2/20 0.37
SYK P43405 1/20 0.37
GRM2 Q14416 1/20 0.37

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
SCHEMBL3085781 0.95 F2 (0.52) F10PRSS1F7F2PRSS2
SCHEMBL3082840 0.85 F2 (0.40) F10PRSS1F7F2PRSS2
SCHEMBL3086665 0.84 F7 (0.48) F10PRSS1F7F2PRSS2
SCHEMBL15268051 0.83 F7 (0.48) F10PRSS1F7F2PRSS2
SCHEMBL3089254 0.80 F7 (0.51) F10PRSS1F7F2PRSS2
SCHEMBL3092601 0.79 ACHE (0.45) F10PRSS1F7F2PRSS2
SCHEMBL3085756 0.79 F2 (0.45) F10PRSS1F7F2PRSS2
SCHEMBL3090649 0.79 KMT2A (0.47) F10PRSS1F7F2PRSS2
SCHEMBL8184290 0.76 F7 (0.46) F10PRSS1F7F2PRSS2
SCHEMBL8186864 0.76 F7 (0.46) F10PRSS1F7F2PRSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2061756-B1 2-AMINOCARBONYLPHENYLAMINO-2-PHENILACETAMIDES AS FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL MYERS SQUIBB CO (US) 2013-09-25 EP disclosed
EP-2061756-B1 2-AMINOCARBONYLPHENYLAMINO-2-PHENILACETAMIDES AS FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL MYERS SQUIBB CO (US) 2013-09-25 EP disclosed
US-8222453-B2 Benzamide factor VIIa inhibitors useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2012-07-17 US disclosed
US-8222453-B2 Benzamide factor VIIa inhibitors useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2012-07-17 US disclosed
US-8222453-B2 Benzamide factor VIIa inhibitors useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2012-07-17 US disclosed
US-20100227894-A1 BENZAMIDE FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2010-09-09 US disclosed
US-20100227894-A1 BENZAMIDE FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2010-09-09 US disclosed
US-20100227894-A1 BENZAMIDE FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2010-09-09 US disclosed
EP-2061756-A2 2-AMINOCARBONYLPHENYLAMINO-2-PHENILACETAMIDES AS FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS Brystol-Myers Squibb Company (US) 2009-05-27 EP disclosed
WO-2007146719-A2 2-AMINOCARBONYLPHENYLAMINO-2-PHENYLACETAMIDES AS FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-21 WO disclosed
WO-2007146719-A2 2-AMINOCARBONYLPHENYLAMINO-2-PHENYLACETAMIDES AS FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-21 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-20100227894-A1 BENZAMIDE FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS F7, F9, F8 F10 11/4885PRSS1 159/4885F7 1/4885

“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.