SCHEMBL3589022

SCHEMBL3589022

CC(C)(C)c1cc(C(=O)Cl)cc2c1OCCC2(C)C

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.62
PTGS1 P23219 19/20 0.62
ALOX5 P09917 11/20 0.53

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
SCHEMBL7139884 0.87 PTGS2 (0.63) PTGS2PTGS1ALOX5
SCHEMBL3582386 0.87 PTGS2 (0.63) PTGS2PTGS1ALOX5
SCHEMBL3584479 0.86 PTGS2 (0.62) PTGS2PTGS1ALOX5
SCHEMBL7795840 0.86 PTGS2 (0.70) PTGS2PTGS1ALOX5
SCHEMBL3592610 0.84 PTGS2 (0.60) PTGS2PTGS1ALOX5
SCHEMBL7161473 0.82 PTGS2 (0.67) PTGS2PTGS1ALOX5
SCHEMBL3580212 0.81 PTGS2 (0.56) PTGS2PTGS1ALOX5
SCHEMBL15726921 0.79 PTGS2 (0.56) PTGS2PTGS1ALOX5
SCHEMBL21028385 0.78 PTGS2 (0.52) PTGS2PTGS1ALOX5
SCHEMBL7141533 0.77 PTGS2 (1.00) PTGS2PTGS1ALOX5

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
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

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 PTGS2 311/4885PTGS1 190/4885ALOX5 1015/4885

“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.