SCHEMBL3589702

SCHEMBL3589702

Cc1cn(CC(=O)N2CCC(c3csc(-c4cc(C(C)(C)C)c5c(c4)C(C)(C)CCO5)n3)CC2)c(C)n1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.38
PTGS2 P35354 4/20 0.38
ALOX5 P09917 1/20 0.34
RORC P51449 1/20 0.34
TMEM97 Q5BJF2 1/20 0.30
SIGMAR1 Q99720 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
SCHEMBL13031240 0.88 PTGS1 (0.38) PTGS1PTGS2ALOX5RORCTMEM97
SCHEMBL3581627 0.83 IRAK4 (0.33) PTGS1PTGS2
SCHEMBL3595230 0.82 RORC (0.36) RORC
SCHEMBL3588560 0.76 PTGS1 (0.36) PTGS1PTGS2ALOX5RORC
SCHEMBL3584110 0.76 IRAK4 (0.34)
SCHEMBL3590320 0.76 IRAK4 (0.33)
SCHEMBL3594695 0.76 PTGS1 (0.40) PTGS1PTGS2ALOX5
SCHEMBL3583149 0.75 IRAK4 (0.32) PTGS1PTGS2
SCHEMBL3576138 0.74 IRAK4 (0.33) PTGS1PTGS2
SCHEMBL3581779 0.71 TLR9 (0.34)

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8642634-B2 Fungicidal azocyclic amides E I DU PONT DE NEMOURS AND COMPANY (US) 2014-02-04 US claimed
US-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2010-11-11 US claimed
EP-1962605-A2 2-ARYLTHIAZOLE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS Merck & Co., Inc. (US) 2008-09-03 EP claimed
WO-2007070433-A2 2-ARYLTHIAZOLE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2007-06-21 WO claimed
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

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 PTGS1 190/4885PTGS2 311/4885ALOX5 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.