SCHEMBL17458516

SCHEMBL17458516

CC1CC(Cn2ccc3cc(-c4cn[nH]c4)ccc32)CN1S(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 4/20 0.35
HTR6 P50406 3/20 0.35
PTGDR2 Q9Y5Y4 4/20 0.34
SCN9A Q15858 1/20 0.34
ROCK2 O75116 3/20 0.34
GRM2 Q14416 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
ROCK1 Q13464 1/20 0.33

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
SCHEMBL17458503 1.00 TRPA1 (0.35) TRPA1HTR6PTGDR2SCN9AROCK2
SCHEMBL17467761 1.00 TRPA1 (0.35) TRPA1HTR6PTGDR2SCN9AROCK2
SCHEMBL17464771 1.00 TRPA1 (0.35) TRPA1HTR6PTGDR2SCN9AROCK2
SCHEMBL17467779 1.00 TRPA1 (0.35) TRPA1HTR6PTGDR2SCN9AROCK2
SCHEMBL17464730 1.00 TRPA1 (0.35) TRPA1HTR6PTGDR2SCN9AROCK2
SCHEMBL17458581 1.00 TRPA1 (0.35) TRPA1HTR6PTGDR2SCN9AROCK2
SCHEMBL17467824 0.92 KDM1A (0.38) HTR6PTGDR2GRM2HRH3
SCHEMBL17458565 0.92 KDM1A (0.38) HTR6PTGDR2GRM2HRH3
SCHEMBL17464772 0.92 KDM1A (0.38) HTR6PTGDR2GRM2HRH3
SCHEMBL17458585 0.92 KDM1A (0.38) HTR6PTGDR2GRM2HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9701663-B2 Sulfonamide retinoic acid receptor-related orphan receptor modulators and uses thereof INNOV17 LLC (US) 2017-07-11 US claimed
EP-3172195-A1 SULFONAMIDE RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF Innov17 LLC (US) 2017-05-31 EP claimed
US-20160024056-A1 SULFONAMIDE RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF INNOV17 LLC 2016-01-28 US claimed
WO-2016014910-A1 SULFONAMIDE RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF INNOV17 LLC (US) 2016-01-28 WO claimed
US-9701663-B2 Sulfonamide retinoic acid receptor-related orphan receptor modulators and uses thereof INNOV17 LLC (US) 2017-07-11 US disclosed
US-9701663-B2 Sulfonamide retinoic acid receptor-related orphan receptor modulators and uses thereof INNOV17 LLC (US) 2017-07-11 US disclosed
US-9701663-B2 Sulfonamide retinoic acid receptor-related orphan receptor modulators and uses thereof INNOV17 LLC (US) 2017-07-11 US disclosed
EP-3172195-A1 SULFONAMIDE RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF Innov17 LLC (US) 2017-05-31 EP disclosed
US-20160024056-A1 SULFONAMIDE RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF INNOV17 LLC 2016-01-28 US disclosed
US-20160024056-A1 SULFONAMIDE RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF INNOV17 LLC 2016-01-28 US disclosed
US-20160024056-A1 SULFONAMIDE RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF INNOV17 LLC 2016-01-28 US disclosed
WO-2016014910-A1 SULFONAMIDE RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF INNOV17 LLC (US) 2016-01-28 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-20160024056-A1 SULFONAMIDE RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF RARA, RARB, RXRA TRPA1 1807/4885HTR6 2847/4885PTGDR2 333/4885

“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.