SCHEMBL5926328

SCHEMBL5926328

O=C(N[C@@H](Cc1ccc(Br)cc1)C(=O)O)c1cc(Br)ccc1Cl

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ITGB1 P05556 10/20 0.61
▸ ITGA4 P13612 10/20 0.61
▸ ITGB2 P05107 1/20 0.61
▸ ICAM1 P05362 1/20 0.61
▸ ITGAL P20701 1/20 0.61
▸ FPR2 P25090 3/20 0.49
▸ CA1 P00915 2/20 0.48
▸ CA2 P00918 2/20 0.48
▸ ITGB7 P26010 4/20 0.47
▸ NHERF1 O14745 1/20 0.47
▸ CCKAR P32238 1/20 0.47
▸ CCKBR P32239 1/20 0.47
▸ HPGD P15428 1/20 0.47

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
SCHEMBL5927344 0.93 ITGB2 (0.62) ITGB1ITGA4ITGB2ICAM1ITGAL
SCHEMBL28856403 0.84 ITGB2 (0.57) ITGB1ITGA4ITGB2ICAM1ITGAL
SCHEMBL6618300 0.83 ITGB1 (0.54) ITGB1ITGA4ITGB2ICAM1ITGAL
SCHEMBL24008866 0.82 CAPN1 (0.54) ITGB1ITGA4ITGB2ICAM1ITGAL
SCHEMBL29961542 0.82 CAPN1 (0.54) ITGB1ITGA4ITGB2ICAM1ITGAL
SCHEMBL15145328 0.79 FPR2 (0.55) ITGB1ITGA4ITGB2ICAM1ITGAL
SCHEMBL3974290 0.78 ITGB1 (0.52) ITGB1ITGA4ITGB2ICAM1ITGAL
SCHEMBL3974284 0.78 ITGB1 (0.52) ITGB1ITGA4ITGB2ICAM1ITGAL
SCHEMBL3975886 0.77 HDAC1 (0.53) ITGB1ITGA4HPGD
SCHEMBL3975891 0.77 HDAC1 (0.53) ITGB1ITGA4HPGD

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-20060276518-A1 Aryl and heteroaryl compounds and methods to modulate coagulation TRANSTECH PHARMA, INC. 2006-12-07 — — US disclosed
US-7122580-B2 Aryl and heteroaryl compounds and methods to modulate coagulation TRANSTECH PHARMA, INC. (US) 2006-10-17 — — US disclosed
CN-1703395-A Aryl and heteroaryl compounds and methods of modulating blood coagulation TRANSTECH PHARMA INC (US) 2005-11-30 — — CN disclosed
EP-1546089-A2 ARYL AND HETEROARYL COMPOUNDS AND METHODS TO MODULATE COAGULATION TransTech Pharma Inc. (US) 2005-06-29 — — EP disclosed
US-20040110832-A1 management, treatment and/or control of diseases caused in intrinsic clotting pathway utilizing factor IX such as stroke, myocardial infarction, aneurysm surgery, and deep vein thrombosis associated with surgical procedures etc TRANSTECH PHARMA, LLC 2004-06-10 — — US disclosed
WO-2004014844-A2 ARYL AND HETEROARYL COMPOUNDS AND METHODS TO MODULATE COAGULATION TRANSTECH PHARMA, INC. (US) 2004-02-19 — — 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 (2 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-20040110832-A1 management, treatment and/or control of diseases caused in intrinsic clotting pathway utilizing factor IX such as stroke, myocardial infarction, aneurysm surgery, and deep vein thrombosis associated with surgical procedures etc TFPI, F9, TFPI2 ITGB1 139/4885ITGA4 171/4885ITGB2 188/4885
US-20060276518-A1 Aryl and heteroaryl compounds and methods to modulate coagulation TFPI, F9, F2 ITGB1 240/4885ITGA4 312/4885ITGB2 260/4885

“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.

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