SCHEMBL5926832

SCHEMBL5926832

O=C(N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)O)c1cc(-c2cccc(C(F)(F)F)c2)ccn1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KIFC1 Q9BW19 7/20 0.66
▸ CDK2 P24941 4/20 0.61
▸ GPR34 Q9UPC5 1/20 0.61
▸ MME P08473 1/20 0.52
▸ ITGB1 P05556 3/20 0.50
▸ ITGA4 P13612 2/20 0.50
▸ ITGB7 P26010 1/20 0.50
▸ ACP3 P15309 1/20 0.49
▸ GPR132 Q9UNW8 1/20 0.49
▸ ITGB3 P05106 1/20 0.47
▸ ITGAV P06756 1/20 0.47
▸ ITGA2B P08514 1/20 0.47
▸ ITGA5 P08648 1/20 0.47
▸ CTSA P10619 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
SCHEMBL5927607 0.94 KIFC1 (0.57) KIFC1CDK2GPR34MMEITGB1
SCHEMBL5927190 0.88 KIFC1 (0.61) KIFC1CDK2GPR34MMEITGB1
SCHEMBL5927777 0.86 KIFC1 (0.71) KIFC1CDK2GPR34MMEITGB1
SCHEMBL5926838 0.82 CTSA (0.59) KIFC1MMECTSA
SCHEMBL6098431 0.82 KIFC1 (0.69) KIFC1CDK2GPR34MMEITGB1
SCHEMBL5926297 0.81 CTSA (0.54) GPR34MMEITGB1ITGA4ITGB7
SCHEMBL5926987 0.81 PTPN1 (0.55) CDK2GPR34MMEITGB1ITGB3
SCHEMBL6097847 0.81 KIFC1 (0.68) KIFC1CDK2GPR34MMEITGB1
SCHEMBL5926237 0.81 KIFC1 (0.53) KIFC1CDK2GPR34MMEGPR132
SCHEMBL8338544 0.81 KIFC1 (0.53) KIFC1CDK2GPR34MMEITGB1

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
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 (1 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-20060276518-A1 Aryl and heteroaryl compounds and methods to modulate coagulation TFPI, F9, F2 KIFC1 4489/4885CDK2 1006/4885GPR34 4272/4885

“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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