SCHEMBL5926346

SCHEMBL5926346

COC(=O)[C@H](CNCc1ccc(-c2ccccc2)cc1)NC(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 1/20 0.48
▸ CYP26A1 O43174 1/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ MTTP P55157 5/20 0.47
▸ HDAC1 Q13547 2/20 0.47
▸ NOS3 P29474 1/20 0.47
▸ NOS1 P29475 1/20 0.47
▸ NOS2 P35228 1/20 0.47
▸ S1PR1 P21453 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ PPARG P37231 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ TACR1 P25103 1/20 0.44
▸ ADAMTS5 Q9UNA0 1/20 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
SCHEMBL5926700 0.89 MTTP (0.50) MAPK14MTTPHDAC1PPARG
SCHEMBL5926605 0.86 CYP26A1 (0.51) MAPK14CYP26A1RAB9ANPC1NOS3
SCHEMBL5312462 0.86 NOS3 (0.61) CYP26A1RAB9AHDAC1NOS3NOS1
SCHEMBL5926571 0.83 TACR1 (0.48) MAPK14CYP26A1RAB9AMTTPNOS3
SCHEMBL5928304 0.81 MMP7 (0.51) CYP26A1NOS3NOS1NOS2GAA
SCHEMBL5926180 0.81 TMEM97 (0.51) MAPK14CYP26A1RAB9ANPC1MTTP
SCHEMBL5926423 0.79 LNPEP (0.61) RAB9ANOS3NOS1NOS2GAA
Hydrochloric Acid SCHEMBL5926809 0.78 CYP26A1 (0.46) CYP26A1RAB9ANPC1NOS3NOS1
SCHEMBL5927018 0.78 GAA (0.56) MAPK14RAB9AHDAC1NOS3NOS1
SCHEMBL5926339 0.78 GAA (0.56) MAPK14RAB9AHDAC1NOS3NOS1

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 5 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

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 MAPK14 3061/4885CYP26A1 2632/4885RAB9A 211/4885
US-20060276518-A1 Aryl and heteroaryl compounds and methods to modulate coagulation TFPI, F9, F2 MAPK14 3787/4885CYP26A1 526/4885RAB9A 524/4885

“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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