SCHEMBL21159822

SCHEMBL21159822

CC(C)N(C(=O)S)C1CC1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
ADH1B P00325 1/20 0.30
ADH1C P00326 1/20 0.30
ADH1A P07327 1/20 0.30
ALOX5 P09917 1/20 0.30
TRPM8 Q7Z2W7 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
SCHEMBL17190669 0.78 PIK3CD (0.37) ALDH1A1ADH1BADH1CADH1AALOX5
SCHEMBL17471262 0.76 TRPM8 (0.33) ALDH1A1ADH1BADH1CADH1AALOX5
SCHEMBL15116483 0.76 ALDH1A1 (0.34) ALDH1A1ADH1BADH1CADH1AALOX5
SCHEMBL17190681 0.74 DPP4 (0.32) ALDH1A1
SCHEMBL15114445 0.74 ALDH1A1 (0.31) ALDH1A1
SCHEMBL15125229 0.73 MAPT (0.30) ALDH1A1
SCHEMBL20054333 0.73 ALOX5 (0.36) ALDH1A1ALOX5
SCHEMBL19027646 0.73 ALDH1A1 (0.38) ALDH1A1
SCHEMBL15113695 0.73 TRPM8 (0.31) ALDH1A1TRPM8
SCHEMBL17190680 0.73 GAA (0.33)

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-20190211033-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2019-07-11 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-20190211033-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, F12, F3 ALDH1A1 1682/4885ADH1B 914/4885ADH1C 599/4885

“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.