SCHEMBL17464732

SCHEMBL17464732

O=S(=O)(CC1CCCCC1)N1CCCC(Cn2ccc3cc(-c4cn[nH]c4)ccc32)CC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTOR P42345 2/20 0.41
ROCK2 O75116 6/20 0.38
ROCK1 Q13464 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
HTR1A P08908 1/20 0.35
KCNH2 Q12809 1/20 0.35
ATM Q13315 1/20 0.35
GRM2 Q14416 2/20 0.34
ACHE P22303 1/20 0.34
HTR6 P50406 2/20 0.33
KDM1A O60341 1/20 0.33
JAK1 P23458 1/20 0.33
PIK3CA P42336 1/20 0.33
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
SCHEMBL17464757 0.90 MTOR (0.40) MTORROCK2ROCK1HRH3ATM
SCHEMBL17464715 0.89 MTOR (0.39) MTORROCK2ROCK1HRH3KCNH2
SCHEMBL17464741 0.88 LRRK2 (0.43) MTORROCK2HRH3KCNH2ATM
SCHEMBL17464755 0.87 MTOR (0.40) MTORROCK2ROCK1HRH3ATM
SCHEMBL17458556 0.87 HPGD (0.39) MTORROCK2ACHE
SCHEMBL17458592 0.87 HRH3 (0.38) MTORROCK2ROCK1HRH3KCNH2
SCHEMBL17458532 0.86 HTR6 (0.41) ATMGRM2HTR6
SCHEMBL17458515 0.86 POLB (0.37) MTORROCK2HRH3GRM2ACHE
SCHEMBL17464720 0.84 CYP19A1 (0.42) ROCK2ATM
SCHEMBL17458548 0.84 LRRK2 (0.45) MTORROCK2HRH3GRM2KDM1A

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 MTOR 4372/4885ROCK2 4542/4885ROCK1 4579/4885

“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.