SCHEMBL13807352

SCHEMBL13807352

CC(=O)c1cc(OC(F)(F)F)cc(C(C)(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.46
EPHX2 P34913 2/20 0.43
NR1H4 Q96RI1 1/20 0.43
ACHE P22303 3/20 0.39
MAOB P27338 2/20 0.37
ADORA3 P0DMS8 1/20 0.35
ABL1 P00519 1/20 0.35
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ESRRA P11474 1/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
KAT6A Q92794 1/20 0.35
CA5A P35218 1/20 0.34
NOTUM Q6P988 1/20 0.34
AURKA O14965 1/20 0.34
TPX2 Q9ULW0 1/20 0.34

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
SCHEMBL13807338 0.90 TRPV1 (0.39) TRPV1EPHX2NR1H4MAOBADORA3
SCHEMBL2096397 0.86 CA5A (0.41) TRPV1EPHX2MAOBADORA3ABL1
SCHEMBL24436719 0.83 CA5A (0.55) TRPV1MAOBADORA3ABL1ESRRA
SCHEMBL13807354 0.81 EPHX2 (0.42) TRPV1EPHX2NR1H4ACHETDP1
SCHEMBL22092817 0.81 CA12 (0.46) TRPV1EPHX2NR1H4MAPTTDP1
SCHEMBL1189363 0.81 MAPT (0.45) EPHX2NR1H4MAPTTDP1L3MBTL1
SCHEMBL21513949 0.80 GABRA1 (0.42) TRPV1EPHX2NR1H4MAPTL3MBTL1
SCHEMBL17407187 0.79 SCN10A (0.39) EPHX2ADORA3ABL1CA5AAURKA
SCHEMBL14993764 0.79 PPARA (0.39) EPHX2MAOBADORA3ABL1CA5A
SCHEMBL14994237 0.79 MEN1 (0.45) ABL1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090143413-A1 Thiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2009-06-04 US disclosed
US-20090143413-A1 Thiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2009-06-04 US disclosed
WO-2007064553-A2 THIAZOLE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2007-06-07 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 (1 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-20090143413-A1 Thiazole Derivatives as CXCR3 Receptor Modulators CXCR3, CXCR1, CX3CR1 TRPV1 97/4885EPHX2 1760/4885NR1H4 152/4885

“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.