SCHEMBL3587771

SCHEMBL3587771

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.48
EPHX2 P34913 2/20 0.45
NR1H4 Q96RI1 2/20 0.45
DHODH Q02127 1/20 0.40
ACHE P22303 3/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 2/20 0.36
HTT P42858 2/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD11B1 P28845 1/20 0.36
KIF11 P52732 2/20 0.36
ESRRG P62508 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
PLK1 P53350 1/20 0.34
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33

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
SCHEMBL13807172 0.85 TRPV1 (0.49) TRPV1EPHX2NR1H4ACHEALDH1A1
SCHEMBL3589490 0.84 EPHX2 (0.42) TRPV1EPHX2NR1H4ACHEALDH1A1
SCHEMBL13807174 0.80 EPHX2 (0.45) TRPV1EPHX2NR1H4ACHEALDH1A1
SCHEMBL47585 0.78 GABRA1 (0.48) EPHX2NR1H4DHODHACHEMAPT
SCHEMBL21332223 0.77 PARP1 (0.42) TRPV1EPHX2NR1H4ALDH1A1LMNA
SCHEMBL9967857 0.74 PARP1 (0.46) EPHX2NR1H4DHODHACHEHTT
SCHEMBL11298266 0.73 CES2 (0.46) DHODHMAPTGAARXRARXRB
SCHEMBL14534692 0.72 DHODH (0.60) EPHX2NR1H4DHODHMAPTMAPK1
SCHEMBL10185366 0.72 DHODH (0.42) EPHX2NR1H4DHODHACHEALDH1A1
SCHEMBL11347527 0.72 RXRA (0.49) EPHX2NR1H4DHODHACHEMAPT

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 TRPV1 118/4885EPHX2 1796/4885NR1H4 169/4885

“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.