SCHEMBL17458549

SCHEMBL17458549

CC(C)(C)S(=O)(=O)N1CCC(Cn2ccc3cc(-c4cn[nH]c4)ccc32)C1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.37
GRM2 Q14416 2/20 0.36
LRRK2 Q5S007 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
GSK3B P49841 2/20 0.35
DYRK1A Q13627 2/20 0.35
WNT1 P04628 1/20 0.35
FASN P49327 1/20 0.34
CYP19A1 P11511 1/20 0.34
CHUK O15111 1/20 0.34
ROCK2 O75116 3/20 0.34
KDM1A O60341 3/20 0.34
CHEK1 O14757 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
SCHEMBL17464763 0.94 GRM2 (0.37) USP30GRM2LRRK2HRH3GSK3B
SCHEMBL17458592 0.91 HRH3 (0.38) GRM2LRRK2HRH3GSK3BDYRK1A
SCHEMBL17464707 0.91 LRRK2 (0.42) USP30GRM2LRRK2HRH3GSK3B
SCHEMBL17458548 0.87 LRRK2 (0.45) USP30GRM2LRRK2HRH3GSK3B
SCHEMBL17464765 0.86 HTR6 (0.38) USP30GRM2LRRK2HRH3GSK3B
SCHEMBL17458508 0.86 HTR6 (0.43) GRM2GSK3BDYRK1AWNT1ROCK2
SCHEMBL17464755 0.84 MTOR (0.40) USP30GRM2LRRK2HRH3GSK3B
SCHEMBL17458578 0.84 ROCK2 (0.40) ROCK2
SCHEMBL17458506 0.83 GRM2 (0.38) GRM2LRRK2HRH3GSK3BDYRK1A
SCHEMBL17467802 0.83 GRM2 (0.38) GRM2LRRK2HRH3GSK3BDYRK1A

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 13 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
WO-2016014910-A1 SULFONAMIDE RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF INNOV17 LLC (US) 2016-01-28 WO disclosed
WO-2016014910-A1 SULFONAMIDE RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF INNOV17 LLC (US) 2016-01-28 WO 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

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 USP30 1876/4885GRM2 628/4885LRRK2 4606/4885

“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.