SCHEMBL5927082

SCHEMBL5927082

Cc1ccc(CNc2ccc(Cl)cc2C(=O)N[C@@H](Cc2ccc(-c3ccccc3)cc2)C(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ITGB1 P05556 11/20 0.50
▸ ITGA4 P13612 9/20 0.50
▸ ITGB7 P26010 5/20 0.49
▸ ITGB3 P05106 2/20 0.49
▸ ITGAV P06756 2/20 0.49
▸ ITGA2B P08514 2/20 0.49
▸ ITGA5 P08648 2/20 0.49
▸ GPR34 Q9UPC5 2/20 0.48
▸ PDK1 Q15118 1/20 0.47
▸ PDK2 Q15119 1/20 0.47
▸ PDK3 Q15120 1/20 0.47
▸ PDK4 Q16654 1/20 0.47
▸ ERAP1 Q9NZ08 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ MME P08473 1/20 0.46
▸ ACE P12821 1/20 0.46
▸ CPA1 P15085 1/20 0.46
▸ ACE2 Q9BYF1 1/20 0.46

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
SCHEMBL5927087 0.85 CYP26A1 (0.49) —
SCHEMBL5926900 0.83 ITGB1 (0.47) ITGB1ITGA4ITGB7ERAP1KMT2A
SCHEMBL5927430 0.82 GPR34 (0.47) ITGB1ITGA4ITGB7GPR34ERAP1
SCHEMBL5927021 0.82 KMT2A (0.43) ITGB1ITGA4ITGB7ITGB3ITGAV
SCHEMBL5927054 0.82 ITGB1 (0.50) ITGB1ITGA4ITGB7GPR34PDK1
SCHEMBL5926657 0.81 ERAP1 (0.48) ITGB1ITGA4ITGB7GPR34PDK1
SCHEMBL5926244 0.80 GPR34 (0.49) ITGB1ITGA4ITGB7GPR34PDK1
SCHEMBL5926995 0.80 PSMB5 (0.62) ITGB1ITGA4ITGB7GPR34ERAP1
SCHEMBL5927209 0.80 ITGB1 (0.55) ITGB1ITGA4ITGB7GPR34PDK1
SCHEMBL5927210 0.80 ITGA4 (0.45) ITGB1ITGA4ITGB7GPR34PDK1

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 3 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
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

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 171/4885ITGB7 541/4885
US-20060276518-A1 Aryl and heteroaryl compounds and methods to modulate coagulation TFPI, F9, F2 ITGB1 240/4885ITGA4 312/4885ITGB7 762/4885

“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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