SCHEMBL4824256

SCHEMBL4824256

COC(=O)CC(NC(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)c1ccc(Oc2ccc(C#N)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.45
THRB P10828 1/20 0.44
UTS2R Q9UKP6 5/20 0.42
KIF11 P52732 1/20 0.42
EGLN2 Q96KS0 1/20 0.42
EGLN1 Q9GZT9 1/20 0.42
HTT P42858 1/20 0.41
RORC P51449 4/20 0.41
PPARA Q07869 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPK14 Q16539 1/20 0.39
PRSS1 P07477 1/20 0.39
CTSG P08311 1/20 0.39
CTRB1 P17538 1/20 0.39
CMA1 P23946 1/20 0.39
PARP15 Q460N3 1/20 0.39
PARP10 Q53GL7 1/20 0.39
PARP2 Q9UGN5 1/20 0.39
MAP4K4 O95819 1/20 0.39

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
SCHEMBL5927020 0.92 THRB (0.49) THRBUTS2RRORCMEN1KMT2A
SCHEMBL5926341 0.92 THRB (0.49) THRBUTS2RRORCMEN1KMT2A
SCHEMBL5927039 0.90 EGLN2 (0.51) TRPM8UTS2RKIF11EGLN2EGLN1
SCHEMBL5927173 0.84 TRPM8 (0.51) TRPM8UTS2RKIF11EGLN2EGLN1
SCHEMBL5926424 0.82 UTS2R (0.49) TRPM8THRBUTS2RKIF11RORC
SCHEMBL5312465 0.82 MEN1 (0.51) UTS2RMEN1KMT2AMAP4K4MINK1
SCHEMBL5926759 0.81 FNTA (0.49) UTS2RKMT2AMAPK14MAP4K4MINK1
SCHEMBL5927117 0.81 FNTA (0.49) UTS2RKMT2AMAPK14MAP4K4MINK1
SCHEMBL4824249 0.81 GAA (0.51) KIF11PPARAMEN1KMT2AMAPK14
SCHEMBL4827878 0.81 GAA (0.51) KIF11PPARAMEN1KMT2AMAPK14

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-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
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

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 TRPM8 2841/4885THRB 1081/4885UTS2R 3251/4885
US-20060276518-A1 Aryl and heteroaryl compounds and methods to modulate coagulation TFPI, F9, F2 TRPM8 3323/4885THRB 1129/4885UTS2R 2544/4885
US-20050059713-A1 Aryl and heteroaryl compounds, compositions, and methods of use CYP2F1, CYP3A43, PNPO TRPM8 4880/4885THRB 2947/4885UTS2R 4630/4885

“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.