SCHEMBL1303773

SCHEMBL1303773

COC(C)OCOc1ccc(C#N)cc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.30
ESR2 Q92731 1/20 0.30

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
SCHEMBL28833338 0.86 TRPV4 (0.34) TRPV4ESR2
SCHEMBL1303775 0.81 RARG (0.33) TRPV4
SCHEMBL30526793 0.80 TRPV4 (0.47) TRPV4ESR2
SCHEMBL30083309 0.79 AR (0.42)
SCHEMBL1303766 0.79 AR (0.42)
SCHEMBL1303774 0.77 TRPV4 (0.33) TRPV4ESR2
SCHEMBL22323989 0.76 TRPV4 (0.36) TRPV4ESR2
SCHEMBL29447080 0.76 TRPV4 (0.36) TRPV4ESR2
SCHEMBL1303515 0.75 FFAR1 (0.38) TRPV4
SCHEMBL22658129 0.74 SLC22A12 (0.33) ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2982668-A2 2-(2-HYDROXYBIPHENYL-3-YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE DERIVATIVES AS FACTOR VIIA INHIBITORS FOR THE TREATMENT OF THROMBOEMBOLIC DISORDERS Pharmacyclics LLC (US) 2016-02-10 EP disclosed
US-9162986-B2 2-(2-hydroxybiphenyl-3-yl)-1H-benzoimidazole-5-carboxamidine derivatives as factor VIIA inhibitors PHARMACYCLICS LLC (US) 2015-10-20 US disclosed
EP-1569912-B1 2-(2-HYDROXYBIPHENYL-3-YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE DERIVATIVES AS FACTOR VIIA INHIBITORS PHARMACYCLICS INC (US) 2015-04-29 EP disclosed
US-20140378453-A1 2-(2-HYDROXYBIPHENYL-3-YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE DERIVATIVES AS FACTOR VIIA INHIBITORS PHARMACYCLICS LLC 2014-12-25 US disclosed
US-8778625-B2 2-(2-hydroxybiphenyl-3-yl)-1H-Benzoimidazole-5-carboxamidine derivatives as factor VIIA inhibitors PHARMACYCLICS, INC. (US) 2014-07-15 US disclosed
US-20130157298-A1 2-(2-Hydroxybiphenyl-3-yl)-1H-Benzoimidazole-5-Carboxamidine Derivatives as Factor VIIA Inhibitors PHARMACYCLICS, INC. (US) 2013-06-20 US disclosed
US-8299110-B2 2-(2-hydroxybiphenyl-3-yl)-1H-benzoimidazole-5-carboxamidine derivatives as factor VIIa inhibitors PHARMACYCLICS, INC. (US) 2012-10-30 US disclosed
US-20110269806-A1 2-(2-HYDROXYBIPHENYL-3-YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE DERIVATIVES AS FACTOR VIIA INHIBITORS PHARMACYCLICS, INC. (US) 2011-11-03 US disclosed
US-20090054432-A1 2-(2-Hydroxybiphenyl-3-yl)-1H-Benzoimidazole-5-Carboxamidine Derivatives as Factor VIIA Inhibitors PHARMACYLICS, INC. A DELAWARE CORPORATION (US) 2009-02-26 US disclosed
US-7479502-B2 2-(2-hydroxybiphenyl-3-yl)-1H-benzoimidazole-5-carboxamidine derivatives as factor VIIA inhibitors PHARMACYCLICS, INC. (US) 2009-01-20 US disclosed
US-20060205942-A1 e.g. 2-{2-[545-carbamimidoyl-1H-benzoimidazol-2-yl)-6,2'-dihydroxy-5'-sulthmoyl-biphenyl-3-yl]-acetylsmino}-succinamic; anticoagulant, anticarcinogenic, antiinflammatory agent; deep vein thrombosis, rheumatoid arthritis, stroke PHARMACYCLICS LLC 2006-09-14 US disclosed
EP-1569912-A2 2-(2-HYDROXYBIPHENYL-3-YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE DERIVATIVES AS FACTOR VIIA INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2005-09-07 EP disclosed
WO-2004050637-A2 2-(2-HYDROXYBIPHENYL-3-YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE DERIVATIVES AS FACTOR VIIA INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-06-17 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 (4 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-20060205942-A1 e.g. 2-{2-[545-carbamimidoyl-1H-benzoimidazol-2-yl)-6,2'-dihydroxy-5'-sulthmoyl-biphenyl-3-yl]-acetylsmino}-succinamic; anticoagulant, anticarcinogenic, antiinflammatory agent; deep vein thrombosis, rheumatoid arthritis, stroke F7, F9, F5 TRPV4 4463/4885ESR2 1271/4885
US-20140378453-A1 2-(2-HYDROXYBIPHENYL-3-YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE DERIVATIVES AS FACTOR VIIA INHIBITORS F13B, HABP2, F7 TRPV4 4833/4885ESR2 3148/4885
US-20110269806-A1 2-(2-HYDROXYBIPHENYL-3-YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE DERIVATIVES AS FACTOR VIIA INHIBITORS F13B, HABP2, F7 TRPV4 4833/4885ESR2 3148/4885
US-20090054432-A1 2-(2-Hydroxybiphenyl-3-yl)-1H-Benzoimidazole-5-Carboxamidine Derivatives as Factor VIIA Inhibitors F13B, HABP2, F7 TRPV4 4833/4885ESR2 3148/4885

“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.