SCHEMBL5926237

SCHEMBL5926237

O=C(N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)O)c1cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2cn1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KIFC1 Q9BW19 5/20 0.53
▸ CDK2 P24941 3/20 0.52
▸ GPR34 Q9UPC5 1/20 0.52
▸ GPR132 Q9UNW8 1/20 0.51
▸ MCHR1 Q99705 1/20 0.50
▸ FPR2 P25090 1/20 0.48
▸ MME P08473 2/20 0.46
▸ ACE P12821 1/20 0.46
▸ CPA1 P15085 1/20 0.46
▸ ACE2 Q9BYF1 1/20 0.46
▸ SCN9A Q15858 1/20 0.46
▸ RAF1 P04049 1/20 0.45
▸ MCL1 Q07820 1/20 0.44
▸ PIN1 Q13526 2/20 0.44

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
SCHEMBL5926775 0.94 MCHR1 (0.56) KIFC1CDK2GPR34GPR132MCHR1
SCHEMBL3999271 0.91 GPR34 (0.58) KIFC1CDK2GPR34GPR132MME
SCHEMBL5927190 0.89 KIFC1 (0.61) KIFC1CDK2GPR34GPR132MCHR1
SCHEMBL3996979 0.89 SCN9A (0.51) KIFC1CDK2GPR34GPR132MCHR1
SCHEMBL8338544 0.88 KIFC1 (0.53) KIFC1CDK2GPR34GPR132MCHR1
SCHEMBL5927607 0.87 KIFC1 (0.57) KIFC1CDK2GPR34GPR132FPR2
SCHEMBL3993238 0.86 SCN9A (0.48) KIFC1CDK2GPR34GPR132MCHR1
SCHEMBL8337225 0.86 FPR2 (0.54) KIFC1CDK2GPR34GPR132FPR2
SCHEMBL5927478 0.85 MME (0.55) MMEACECPA1ACE2PIN1
SCHEMBL5926779 0.85 MME (0.50) GPR34MMEACECPA1ACE2

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
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
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 KIFC1 3927/4885CDK2 2502/4885GPR34 4618/4885
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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