SCHEMBL3579165

SCHEMBL3579165

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 2/20 0.51
TSHR P16473 3/20 0.50
APOBEC3A P31941 1/20 0.50
HTT P42858 1/20 0.50
APOBEC3G Q9HC16 1/20 0.50
NCOA1 Q15788 1/20 0.44
NCOA3 Q9Y6Q9 1/20 0.44
PARP1 P09874 2/20 0.42
PARP10 Q53GL7 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
PARP2 Q9UGN5 1/20 0.42
PARP4 Q9UKK3 1/20 0.42
BPTF Q12830 1/20 0.41
PTGS2 P35354 1/20 0.40
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
DHFR P00374 1/20 0.37
NNMT P40261 1/20 0.37

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
SCHEMBL2772941 0.82 TNFRSF1A (0.53) TNFRSF1ATSHRCA1CA2PTGS2
SCHEMBL3637333 0.82 TNFRSF1A (0.56) TNFRSF1ACA1CA2PTGS2
SCHEMBL9162907 0.81 TSHR (0.42) TNFRSF1ATSHRAPOBEC3AHTTAPOBEC3G
SCHEMBL5677096 0.81 TNFRSF1A (0.51) TNFRSF1ATSHRCA1CA2PTGS2
SCHEMBL4534993 0.81 GLRA3 (0.41) TNFRSF1ATSHRAPOBEC3AHTTAPOBEC3G
SCHEMBL4464967 0.81 TNFRSF1A (0.44) TNFRSF1ATSHRCA1CA2PTGS2
SCHEMBL3587740 0.81 TNFRSF1A (0.44) TNFRSF1ATSHRHTTCA1CA2
SCHEMBL27871656 0.78 TNFRSF1A (0.49) TNFRSF1ATSHRPTGS2ALDH1A1TDP1
SCHEMBL47590 0.78 LMNA (0.55) TNFRSF1AHTTCA1CA2PTGS2
SCHEMBL6914381 0.78 TNFRSF1A (0.46) TNFRSF1ATSHRCA1CA2PTGS2

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-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
EP-1962605-A2 2-ARYLTHIAZOLE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS Merck & Co., Inc. (US) 2008-09-03 EP disclosed
WO-2007070433-A2 2-ARYLTHIAZOLE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2007-06-21 WO disclosed
WO-2007070433-A2 2-ARYLTHIAZOLE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2007-06-21 WO disclosed
US-5441984-A Antidiabetic agent ELI LILLY AND COMPANY (US) 1995-08-15 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 (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 178/4885TSHR 697/4885APOBEC3A 3966/4885

“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.