SCHEMBL4824249

SCHEMBL4824249

COC(=O)[C@H](Cc1ccc(Oc2ccc(C#N)cc2)cc1)NC(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.51
RAB9A P51151 1/20 0.51
CTSG P08311 4/20 0.49
CMA1 P23946 3/20 0.49
NOS3 P29474 2/20 0.46
NOS1 P29475 2/20 0.46
NOS2 P35228 2/20 0.46
PPARA Q07869 1/20 0.45
CTSS P25774 3/20 0.44
CTSB P07858 2/20 0.44
CTSK P43235 2/20 0.44
NLRP3 Q96P20 1/20 0.44
MAPK14 Q16539 1/20 0.43
LNPEP Q9UIQ6 1/20 0.43
CTSL P07711 2/20 0.43
KIF11 P52732 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL4827878 1.00 GAA (0.51) GAARAB9ACTSGCMA1NOS3
SCHEMBL5926339 0.92 GAA (0.56) GAARAB9ANOS3NOS1NOS2
SCHEMBL5927018 0.92 GAA (0.56) GAARAB9ANOS3NOS1NOS2
SCHEMBL5927036 0.90 GPR132 (0.49) PPARACTSSCTSBCTSKMAPK14
SCHEMBL11925979 0.84 GAA (0.60) GAARAB9ACTSGCMA1CTSS
SCHEMBL5927165 0.84 KIFC1 (0.52) PPARACTSSCTSBCTSKCTSL
SCHEMBL5312462 0.83 NOS3 (0.61) GAARAB9ANOS3NOS1NOS2
SCHEMBL5926423 0.82 LNPEP (0.61) GAARAB9ANOS3NOS1NOS2
SCHEMBL15091769 0.82 EPHX2 (0.59) GAARAB9ACTSGCMA1NLRP3
SCHEMBL15037028 0.82 EPHX2 (0.59) GAARAB9ACTSGCMA1NLRP3

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7459472-B2 Aryl and heteroaryl compounds, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2008-12-02 US disclosed
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-20050059713-A1 Aryl and heteroaryl compounds, compositions, and methods of use VTVX HOLDINGS I LLC 2005-03-17 US disclosed
WO-2005014534-A1 ARYL AND HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2005-02-17 WO 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 (3 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 GAA 325/4885RAB9A 211/4885CTSG 287/4885
US-20060276518-A1 Aryl and heteroaryl compounds and methods to modulate coagulation TFPI, F9, F2 GAA 455/4885RAB9A 524/4885CTSG 599/4885
US-20050059713-A1 Aryl and heteroaryl compounds, compositions, and methods of use CYP2F1, CYP3A43, PNPO GAA 420/4885RAB9A 2334/4885CTSG 1462/4885

“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.