SCHEMBL21028385

SCHEMBL21028385

CC(C)(C)c1cc(S)cc2c1OCCC2(C)C

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 19/20 0.52
PTGS1 P23219 18/20 0.52
ALOX5 P09917 12/20 0.41

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
SCHEMBL21028389 0.86 PTGS2 (0.40) PTGS2PTGS1ALOX5
SCHEMBL15726921 0.82 PTGS2 (0.56) PTGS2PTGS1ALOX5
SCHEMBL7143664 0.81 PTGS2 (0.49) PTGS2PTGS1ALOX5
SCHEMBL7139884 0.79 PTGS2 (0.63) PTGS2PTGS1ALOX5
SCHEMBL3582386 0.79 PTGS2 (0.63) PTGS2PTGS1ALOX5
SCHEMBL15723285 0.78 PTGS2 (0.47) PTGS2PTGS1ALOX5
SCHEMBL3589022 0.78 PTGS2 (0.62) PTGS2PTGS1ALOX5
SCHEMBL3584479 0.78 PTGS2 (0.62) PTGS2PTGS1ALOX5
SCHEMBL3580212 0.78 PTGS2 (0.56) PTGS2PTGS1ALOX5
SCHEMBL21241568 0.76 HPN (0.55) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10301272-B2 Carboxamide or sulfonamide substituted thiazoles and related derivatives as modulators for the orphan nuclear receptor ROR[γ] PHENEX PHARMACEUTICALS AG (DE) 2019-05-28 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-10301272-B2 Carboxamide or sulfonamide substituted thiazoles and related derivatives as modulators for the orphan nuclear receptor ROR[γ] RORA, RORB, RORC PTGS2 2127/4885PTGS1 2042/4885ALOX5 2240/4885

“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.