SCHEMBL19255106

SCHEMBL19255106

CC(C)C1CCC(C(S)[C@@H]2CCC[C@@H]2C)C1C

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.34
TRPM8 Q7Z2W7 2/20 0.34

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
SCHEMBL4365281 0.77 TRPA1 (0.38) TRPA1TRPM8
SCHEMBL598497 0.76
SCHEMBL598630 0.71 CA1 (0.46) TRPA1TRPM8
SCHEMBL24031427 0.69 CA1 (0.43) TRPA1TRPM8
SCHEMBL25612783 0.69 TRPA1 (0.35) TRPA1TRPM8
SCHEMBL24142309 0.69 CA1 (0.33)
SCHEMBL5776136 0.67 TRPA1 (0.41) TRPA1TRPM8
SCHEMBL16743130 0.66 TRPA1 (0.46) TRPA1TRPM8
SCHEMBL853466 0.66 TRPA1 (0.46) TRPA1TRPM8
Formamide SCHEMBL28320537 0.65 TRPA1 (0.38) TRPA1TRPM8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9920054-B2 Methyl- and trifluoromethyl-substituted pyrrolopyridine modulators of RORC2 and methods of use thereof PFIZER INC. (US) 2018-03-20 US disclosed
US-20170233390-A1 Methyl- and Trifluoromethyl-Substituted Pyrrolopyridine Modulators of RORC2 and Methods of Use Thereof PFIZER INC. (US) 2017-08-17 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-20170233390-A1 Methyl- and Trifluoromethyl-Substituted Pyrrolopyridine Modulators of RORC2 and Methods of Use Thereof RORC, RORB, RORA TRPA1 1215/4885TRPM8 1089/4885

“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.