SCHEMBL17464757

SCHEMBL17464757

O=S(=O)(C1CCCCC1)N1CCCC(Cn2ccc3cc(-c4cn[nH]c4)ccc32)CC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTOR P42345 2/20 0.40
HTR6 P50406 1/20 0.38
ROCK2 O75116 5/20 0.37
ROCK1 Q13464 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
JAK1 P23458 1/20 0.35
ATM Q13315 1/20 0.35
ACHE P22303 1/20 0.34
GRM2 Q14416 2/20 0.33
KDM1A O60341 1/20 0.33
CDC7 O00311 1/20 0.33
DBF4 Q9UBU7 1/20 0.33
PIK3CA P42336 1/20 0.33
CHEK1 O14757 1/20 0.33
LRRK2 Q5S007 1/20 0.33
FAAH O00519 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
SCHEMBL17464715 0.99 MTOR (0.39) MTORHTR6ROCK2ROCK1HRH3
SCHEMBL17464755 0.97 MTOR (0.40) MTORHTR6ROCK2ROCK1HRH3
SCHEMBL17464765 0.92 HTR6 (0.38) MTORHTR6ROCK2ROCK1HRH3
SCHEMBL17464732 0.90 MTOR (0.41) MTORHTR6ROCK2ROCK1HRH3
SCHEMBL17458592 0.89 HRH3 (0.38) MTORROCK2ROCK1HRH3ATM
SCHEMBL17464741 0.89 LRRK2 (0.43) MTORROCK2HRH3JAK1ATM
SCHEMBL17464762 0.87 ACHE (0.35) MTORHTR6ROCK2ATMACHE
SCHEMBL17458532 0.87 HTR6 (0.41) HTR6ATMGRM2
SCHEMBL17464720 0.85 CYP19A1 (0.42) ROCK2ATM
SCHEMBL17464763 0.85 GRM2 (0.37) 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 4372/4885HTR6 2847/4885ROCK2 4542/4885

“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.