SCHEMBL3995086

SCHEMBL3995086

O=C(NC(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)O)c1cc(Cl)ccc1NCc1cccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KIFC1 Q9BW19 3/20 0.47
▸ ITGB1 P05556 8/20 0.46
▸ ITGA4 P13612 8/20 0.46
▸ PDK1 Q15118 1/20 0.44
▸ PDK2 Q15119 1/20 0.44
▸ PDK3 Q15120 1/20 0.44
▸ PDK4 Q16654 1/20 0.44
▸ MCL1 Q07820 1/20 0.44
▸ CDK2 P24941 1/20 0.43
▸ ERAP1 Q9NZ08 2/20 0.43
▸ PSMB5 P28074 1/20 0.43
▸ ITGB7 P26010 5/20 0.42
▸ ITGB2 P05107 1/20 0.42
▸ ICAM1 P05362 1/20 0.42
▸ ITGAL P20701 1/20 0.42

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
SCHEMBL8300159 1.00 KIFC1 (0.47) KIFC1ITGB1ITGA4PDK1PDK2
SCHEMBL5926900 0.93 ITGB1 (0.47) ITGB1ITGA4ERAP1ITGB7ITGB2
SCHEMBL6101133 0.92 ITGB1 (0.44) ITGB1ITGA4PDK1PDK2PDK3
SCHEMBL3994869 0.91 CDK2 (0.45) KIFC1MCL1CDK2PSMB5
SCHEMBL3992036 0.91 ITGB1 (0.45) KIFC1ITGB1ITGA4PDK1PDK2
SCHEMBL8339646 0.89 ITGB1 (0.44) ITGB1ITGA4PDK1PDK2PDK3
SCHEMBL3978072 0.88 GPR34 (0.45) ITGB1ITGA4ERAP1ITGB7ITGB2
SCHEMBL5926694 0.86 ITGB1 (0.47) ITGB1ITGA4ITGB7ITGB2ICAM1
SCHEMBL5926907 0.86 ITGB1 (0.45) ITGB1ITGA4ERAP1ITGB7ITGB2
SCHEMBL5926313 0.84 ITGB1 (0.42) ITGB1ITGA4ERAP1ITGB7ITGB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7544699-B2 Aryl and heteroaryl compounds, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2009-06-09 — — US disclosed
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
EP-1660439-A2 ARYL AND HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE Transtech Pharma, Inc. (US) 2006-05-31 — — EP disclosed
EP-1546089-A2 ARYL AND HETEROARYL COMPOUNDS AND METHODS TO MODULATE COAGULATION TransTech Pharma Inc. (US) 2005-06-29 — — EP disclosed
US-20050059705-A1 Aryl and heteroaryl compounds, compositions, and methods of use VTVX HOLDINGS I LLC 2005-03-17 — — US disclosed
WO-2005014533-A2 ARYL AND HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2005-02-17 — — WO 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 (3 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 KIFC1 3927/4885ITGB1 139/4885ITGA4 171/4885
US-20060276518-A1 Aryl and heteroaryl compounds and methods to modulate coagulation TFPI, F9, F2 KIFC1 4489/4885ITGB1 240/4885ITGA4 312/4885
US-20050059705-A1 Aryl and heteroaryl compounds, compositions, and methods of use TFPI, F3, F2 KIFC1 4773/4885ITGB1 826/4885ITGA4 1170/4885

“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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