SCHEMBL17464707

SCHEMBL17464707

CS(=O)(=O)N1CCC(Cn2ccc3cc(-c4cn[nH]c4)ccc32)C1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.42
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
GRM2 Q14416 1/20 0.37
AURKA O14965 1/20 0.36
AURKB Q96GD4 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
USP30 Q70CQ3 2/20 0.36
WNT1 P04628 1/20 0.36
GSK3B P49841 1/20 0.36
DYRK1A Q13627 1/20 0.36
CYP4F2 P78329 3/20 0.36
CYP4A11 Q02928 3/20 0.36
IRAK1 P51617 3/20 0.35
ROCK2 O75116 2/20 0.35
FASN P49327 1/20 0.35
KDM1A O60341 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
CHEK1 O14757 1/20 0.34

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
SCHEMBL17458548 0.94 LRRK2 (0.45) LRRK2JAK2JAK1GRM2AURKA
SCHEMBL17458549 0.91 USP30 (0.37) LRRK2GRM2HRH3USP30WNT1
SCHEMBL17464741 0.91 LRRK2 (0.43) LRRK2JAK2JAK1GRM2AURKA
SCHEMBL17458508 0.88 HTR6 (0.43) GRM2WNT1GSK3BDYRK1AROCK2
SCHEMBL17464765 0.88 HTR6 (0.38) LRRK2JAK1GRM2HRH3USP30
SCHEMBL17464763 0.86 GRM2 (0.37) LRRK2GRM2HRH3USP30WNT1
SCHEMBL17458578 0.86 ROCK2 (0.40) ROCK2
SCHEMBL17458521 0.84 POLB (0.38) ROCK2
SCHEMBL17458593 0.84 HTR6 (0.44) GRM2WNT1GSK3BDYRK1A
SCHEMBL17464755 0.84 MTOR (0.40) LRRK2JAK1GRM2HRH3USP30

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 5 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 disclosed
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
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

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 LRRK2 4606/4885JAK2 3679/4885JAK1 3258/4885

“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.