SCHEMBL17458565

SCHEMBL17458565

Cc1ccc(S(=O)(=O)N2C[C@H](Cn3ccc4cc(-c5cn[nH]c5)ccc43)C[C@H]2C)cc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.38
HTR6 P50406 5/20 0.34
GRM2 Q14416 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
NPC1 O15118 1/20 0.33
KMT2A Q03164 1/20 0.33
TP53 P04637 1/20 0.32
LRRK2 Q5S007 1/20 0.32
WNT1 P04628 1/20 0.32
GSK3B P49841 1/20 0.32
DYRK1A Q13627 1/20 0.32
EED O75530 1/20 0.32
MCOLN3 Q8TDD5 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL17464772 1.00 KDM1A (0.38) KDM1AHTR6GRM2PTGDR2HRH3
SCHEMBL17467824 1.00 KDM1A (0.38) KDM1AHTR6GRM2PTGDR2HRH3
SCHEMBL17458585 1.00 KDM1A (0.38) KDM1AHTR6GRM2PTGDR2HRH3
SCHEMBL17458513 1.00 KDM1A (0.38) KDM1AHTR6GRM2PTGDR2HRH3
SCHEMBL17458516 0.92 TRPA1 (0.35) HTR6GRM2PTGDR2HRH3
SCHEMBL17464771 0.92 TRPA1 (0.35) HTR6GRM2PTGDR2HRH3
SCHEMBL17467761 0.92 TRPA1 (0.35) HTR6GRM2PTGDR2HRH3
SCHEMBL17458581 0.92 TRPA1 (0.35) HTR6GRM2PTGDR2HRH3
SCHEMBL17464730 0.92 TRPA1 (0.35) HTR6GRM2PTGDR2HRH3
SCHEMBL17458503 0.92 TRPA1 (0.35) HTR6GRM2PTGDR2HRH3

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 6 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-20160024056-A1 SULFONAMIDE RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF INNOV17 LLC 2016-01-28 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-20160024056-A1 SULFONAMIDE RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF RARA, RARB, RXRA KDM1A 2537/4885HTR6 2847/4885GRM2 628/4885

“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.