SCHEMBL17038527

SCHEMBL17038527

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nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 5/20 0.40
TRPA1 O75762 2/20 0.40
EPHX1 P07099 3/20 0.38
KCNA5 P22460 1/20 0.35
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
OPRM1 P35372 1/20 0.31
CYP19A1 P11511 2/20 0.30
TRPV1 Q8NER1 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
SCHEMBL19928371 1.00 TRPM8 (0.40) TRPM8TRPA1EPHX1KCNA5ALDH1A1
SCHEMBL6911471 0.74 TRPM8 (0.48) TRPM8TRPA1EPHX1KCNA5ALDH1A1
SCHEMBL11855364 0.73 TRPM8 (0.47) TRPM8TRPA1EPHX1KCNA5ALDH1A1
SCHEMBL1674809 0.73 TRPM8 (0.52) TRPM8TRPA1EPHX1KCNA5CA1
SCHEMBL2123054 0.73 EPHX1 (0.49) TRPM8TRPA1EPHX1KCNA5ALDH1A1
SCHEMBL18626368 0.70 TRPM8 (0.52) TRPM8TRPA1EPHX1KCNA5ALDH1A1
SCHEMBL33532890 0.68 EPHX1 (0.41) TRPM8TRPA1EPHX1KCNA5ALDH1A1
SCHEMBL19067387 0.67 TRPM8 (0.48) TRPM8TRPA1EPHX1KCNA5ALDH1A1
SCHEMBL9514707 0.67 TRPM8 (0.41) TRPM8TRPA1EPHX1KCNA5ALDH1A1
SCHEMBL19928370 0.66 EPHX1 (0.57) TRPM8TRPA1EPHX1ALDH1A1CYP19A1

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-20150239833-A1 COMPOSITION, SYNTHESIS, AND USE OF NEW ARYLSULFONYL ISONITRILES DUQUESNE UNIVERSITY OF THE HOLY GHOST (US) 2015-08-27 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-20150239833-A1 COMPOSITION, SYNTHESIS, AND USE OF NEW ARYLSULFONYL ISONITRILES SRMS, AADAC, CYP3A4 TRPM8 4850/4885TRPA1 3794/4885EPHX1 3497/4885

“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.