SCHEMBL3589490

SCHEMBL3589490

CC(C)(C)c1cc(SC(F)(F)F)cc(C(N)=S)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.42
NR1H4 Q96RI1 1/20 0.42
TRPV1 Q8NER1 1/20 0.41
PTPN7 P35236 1/20 0.34
DUSP3 P51452 1/20 0.34
LMNA P02545 2/20 0.32
HTT P42858 2/20 0.32
GAA P10253 2/20 0.32
POLB P06746 1/20 0.32
ALDH1A1 P00352 2/20 0.32
ACHE P22303 1/20 0.32
KDM4E B2RXH2 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MAPT P10636 2/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
HTR1D P28221 1/20 0.30
HTR1B P28222 1/20 0.30

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
SCHEMBL3587771 0.84 TRPV1 (0.48) EPHX2NR1H4TRPV1LMNAHTT
SCHEMBL13807172 0.79 TRPV1 (0.49) EPHX2NR1H4TRPV1LMNAHTT
SCHEMBL3590702 0.78 GABRA1 (0.48) PTPN7DUSP3HTTGAAPOLB
SCHEMBL3587775 0.78 GAA (0.49) PTPN7DUSP3GAAALDH1A1ACHE
SCHEMBL13807174 0.74 EPHX2 (0.45) EPHX2NR1H4TRPV1LMNAHTT
SCHEMBL3583240 0.70 TRPV1 (0.40) EPHX2NR1H4TRPV1LMNAHTT
SCHEMBL3589143 0.67 KIF11 (0.42) EPHX2NR1H4TRPV1LMNAHTT
SCHEMBL13031211 0.67 TRPV1 (0.37) EPHX2NR1H4TRPV1LMNAHTT
SCHEMBL10145012 0.67 TRPV1 (0.62) EPHX2NR1H4TRPV1LMNAHTT
SCHEMBL627496 0.67 GAA (0.56) LMNAGAAPOLBALDH1A1MAPT

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-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2010-11-11 US disclosed
US-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2010-11-11 US disclosed
WO-2007070433-A2 2-ARYLTHIAZOLE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2007-06-21 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-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators CXCR3, CXCR1, CXCR2 EPHX2 1796/4885NR1H4 169/4885TRPV1 118/4885

“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.