SCHEMBL3587740

SCHEMBL3587740

COc1c(C(C)(C)C)cc(C(N)=S)cc1C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 2/20 0.44
PTGS2 P35354 3/20 0.44
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
GAA P10253 1/20 0.38
DHFR P00374 1/20 0.37
PTGS1 P23219 1/20 0.36
HPGD P15428 2/20 0.36
ALOX15 P16050 2/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALDH1A1 P00352 4/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
RAD52 P43351 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL3579165 0.81 TNFRSF1A (0.51) TNFRSF1APTGS2CA1CA2DHFR
SCHEMBL4464967 0.81 TNFRSF1A (0.44) TNFRSF1APTGS2CA1CA2DHFR
SCHEMBL3577065 0.78 GAA (0.60) PTGS2CA1CA2GAAPTGS1
SCHEMBL9179431 0.75 CTNNB1 (0.32)
SCHEMBL2772941 0.74 TNFRSF1A (0.53) TNFRSF1APTGS2CA1CA2PTGS1
SCHEMBL3637333 0.74 TNFRSF1A (0.56) TNFRSF1APTGS2CA1CA2
SCHEMBL2766557 0.74 HTT (0.57) CYP3A4ALDH1A1TSHRHTTSMN1; SMN2
SCHEMBL5677096 0.73 TNFRSF1A (0.51) TNFRSF1APTGS2CA1CA2GAA
SCHEMBL3157771 0.73 TDP1 (0.52) TNFRSF1APTGS2CA1CA2GAA
SCHEMBL29113869 0.73 PTGS2 (0.46) TNFRSF1APTGS2CA1CA2DHFR

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 TNFRSF1A 178/4885PTGS2 311/4885CA1 3314/4885

“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.