SCHEMBL17464741

SCHEMBL17464741

CS(=O)(=O)N1CCCC(Cn2ccc3cc(-c4cn[nH]c4)ccc32)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.43
HRH3 Q9Y5N1 1/20 0.39
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
MTOR P42345 1/20 0.37
AURKA O14965 1/20 0.37
AURKB Q96GD4 1/20 0.37
CYP4F2 P78329 3/20 0.36
CYP4A11 Q02928 3/20 0.36
ROCK2 O75116 4/20 0.36
GRM2 Q14416 2/20 0.36
ATM Q13315 1/20 0.36
KDM1A O60341 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
GRIN1 Q05586 1/20 0.36
KCNH2 Q12809 1/20 0.36
GRIN2B Q13224 1/20 0.36
WNT1 P04628 1/20 0.35

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 0.96 LRRK2 (0.45) LRRK2HRH3JAK2JAK1MTOR
SCHEMBL17458592 0.91 HRH3 (0.38) LRRK2HRH3MTORROCK2GRM2
SCHEMBL17464707 0.91 LRRK2 (0.42) LRRK2HRH3JAK2JAK1AURKA
SCHEMBL17464715 0.90 MTOR (0.39) LRRK2HRH3JAK1MTORROCK2
SCHEMBL17464757 0.89 MTOR (0.40) LRRK2HRH3JAK1MTORROCK2
SCHEMBL17458532 0.88 HTR6 (0.41) GRM2ATMACP1
SCHEMBL17464732 0.88 MTOR (0.41) HRH3JAK1MTORROCK2GRM2
SCHEMBL17464720 0.87 CYP19A1 (0.42) ROCK2ATMCYP2C19
SCHEMBL17464763 0.87 GRM2 (0.37) LRRK2HRH3MTORROCK2GRM2
SCHEMBL17458556 0.86 HPGD (0.39) MTORROCK2

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
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

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 4606/4885HRH3 2022/4885JAK2 3679/4885

“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.