SCHEMBL1303368

SCHEMBL1303368

CC(C(=O)O)c1cc(Br)c(O)c(C=O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 8/20 0.51
AKR1C3 P42330 3/20 0.37
AKR1C2 P52895 2/20 0.37
TYR P14679 1/20 0.37
FOLH1 Q04609 1/20 0.35
TTR P02766 1/20 0.35
PTGS2 P35354 5/20 0.35
PTGS1 P23219 4/20 0.34
MAPT P10636 2/20 0.34
CXCR1 P25024 2/20 0.34
CXCR2 P25025 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 2/20 0.34
SLC22A6 Q4U2R8 2/20 0.34
RECQL P46063 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL5964865 0.84 TTR (0.48) AKR1C3AKR1C2FOLH1TTRPTGS2
SCHEMBL26229436 0.83 ERN1 (0.58) ERN1TYRKDM4E
SCHEMBL5964844 0.78 THRA (0.58)
SCHEMBL5964560 0.78 THRA (0.44) ERN1PTGS1
SCHEMBL4879202 0.74 ERN1 (0.47) ERN1TTRMAPTLMNA
SCHEMBL1527087 0.73 TYR (0.50) ERN1AKR1C3AKR1C2TYRPTGS2
SCHEMBL5964834 0.73 THRA (0.50) ERN1
SCHEMBL5964531 0.72 THRA (0.52) AKR1C3AKR1C2FOLH1PTGS2PTGS1
SCHEMBL6391668 0.71 ERN1 (0.41) ERN1FOLH1MAPTLMNAALDH1A1
SCHEMBL25385602 0.70 TTR (0.67) ERN1AKR1C3AKR1C2TTRMAPT

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 22 patents — showing the first 20. 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-8729117-B2 Factor VIIa inhibitor PHARMACYCLICS, INC. (US) 2014-05-20 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-8415328-B2 Factor VIIa inhibitor PHARMACYCLICS, INC (US) 2013-04-09 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-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-20080275250-A1 Factor Viia Inhibitor PHARMACYCLICS, INC. (US) 2008-11-06 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
US-20050176797-A1 2-[5-(5-Carbamimidoyl-1H-heteroaryl)-6-hydroxybiphenyl-3-YL]-succinic acid derivatives as factor viia inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-08-11 US disclosed
WO-2004062661-A1 2-‘5-(5-CARBAMIMIDOYL-1H-HETEROARYL)-6-HYDROXYBIPHENYL-3-YL!- CARBOXYLIC ACID DERIVATIVES AS FACTOR VIIA INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-07-29 WO 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
EP-1408963-A1 2- 5-(5-CARBAMIMIDOYL-1 i H /i -HETEROARYL)-6-HYDROXYBIPHENYL-3-YL]-SUCCINIC ACID DERIVATIVES AS FACTOR VIIA INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-04-21 EP disclosed
US-20030114457-A1 2- [5- (5-carbamimidoyl-1H-heteroaryl)-6-hydroxybiphenyl-3-yl]-succinic acid derivatives as factor viia inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-06-19 US disclosed
WO-2003006011-A1 2-[5-(5-CARBAMIMIDOYL-1H-HETEROARYL)-6-HYDROXYBIPHENYL-3-YL]-SUCCINIC ACID DERIVATIVES AS FACTOR VIIA INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2003-01-23 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 (6 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 ERN1 2767/4885AKR1C3 2437/4885AKR1C2 3172/4885
US-20140378453-A1 2-(2-HYDROXYBIPHENYL-3-YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE DERIVATIVES AS FACTOR VIIA INHIBITORS F13B, HABP2, F7 ERN1 2006/4885AKR1C3 3547/4885AKR1C2 4008/4885
US-20110269806-A1 2-(2-HYDROXYBIPHENYL-3-YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE DERIVATIVES AS FACTOR VIIA INHIBITORS F13B, HABP2, F7 ERN1 2006/4885AKR1C3 3547/4885AKR1C2 4008/4885
US-20080275250-A1 Factor Viia Inhibitor F7, F9, F5 ERN1 1573/4885AKR1C3 2367/4885AKR1C2 2632/4885
US-20030114457-A1 2- [5- (5-carbamimidoyl-1H-heteroaryl)-6-hydroxybiphenyl-3-yl]-succinic acid derivatives as factor viia inhibitors F7, F9, F5 ERN1 2767/4885AKR1C3 2964/4885AKR1C2 3572/4885
US-20050176797-A1 2-[5-(5-Carbamimidoyl-1H-heteroaryl)-6-hydroxybiphenyl-3-YL]-succinic acid derivatives as factor viia inhibitors F7, F9, F5 ERN1 2767/4885AKR1C3 2964/4885AKR1C2 3572/4885

“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.