SCHEMBL5926571

SCHEMBL5926571

COC(=O)[C@H](COCc1ccc(-c2ccccc2)cc1)NC(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 1/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ MAPT P10636 2/20 0.48
▸ CYP26A1 O43174 1/20 0.47
▸ NOS3 P29474 1/20 0.47
▸ NOS1 P29475 1/20 0.47
▸ NOS2 P35228 1/20 0.47
▸ MGLL Q99685 1/20 0.47
▸ PPARG P37231 2/20 0.46
▸ PPARA Q07869 2/20 0.46
▸ GAA P10253 1/20 0.46
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ BCL2L1 Q07817 1/20 0.44
▸ MCL1 Q07820 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ KIFC1 Q9BW19 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43

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
SCHEMBL5926788 0.90 PPARA (0.54) TACR1MGLLPPARGPPARABCL2L1
SCHEMBL5312462 0.86 NOS3 (0.61) TACR1RAB9ACYP26A1NOS3NOS1
SCHEMBL5926346 0.83 MAPK14 (0.48) TACR1RAB9AMAPTCYP26A1NOS3
SCHEMBL5926605 0.82 CYP26A1 (0.51) TACR1RAB9AMAPTCYP26A1NOS3
SCHEMBL5926423 0.81 LNPEP (0.61) RAB9ANOS3NOS1NOS2GAA
SCHEMBL5926180 0.81 TMEM97 (0.51) TACR1RAB9ACYP26A1NOS3NOS1
SCHEMBL13753850 0.79 KMT2A (0.52) RAB9AMAPTMEN1KMT2ATP53
Hydrochloric Acid SCHEMBL5926809 0.78 CYP26A1 (0.46) RAB9ACYP26A1NOS3NOS1NOS2
SCHEMBL5927018 0.78 GAA (0.56) RAB9ANOS3NOS1NOS2PPARG
SCHEMBL5926339 0.78 GAA (0.56) RAB9ANOS3NOS1NOS2PPARG

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 TACR1 4367/4885RAB9A 211/4885MAPT 3058/4885
US-20060276518-A1 Aryl and heteroaryl compounds and methods to modulate coagulation TFPI, F9, F2 TACR1 3959/4885RAB9A 524/4885MAPT 4316/4885

“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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