SCHEMBL17464752

SCHEMBL17464752

CC1CC(Cn2ccc3cc(-c4cn[nH]c4)ccc32)CCN1S(=O)(=O)CCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 3/20 0.39
ROCK2 O75116 8/20 0.36
HRH3 Q9Y5N1 1/20 0.36
POLB P06746 1/20 0.35
ROCK1 Q13464 1/20 0.34
GRK2 P25098 2/20 0.33
GRK1 Q15835 2/20 0.33
GRK5 P34947 1/20 0.33
GRM2 Q14416 1/20 0.33
BRD4 O60885 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
SCHEMBL17464769 0.93 BRD4 (0.36) SMYD3ROCK2HRH3ROCK1GRK2
SCHEMBL17458560 0.93 BRD4 (0.36) SMYD3ROCK2HRH3ROCK1GRK2
SCHEMBL17467748 0.93 BRD4 (0.36) SMYD3ROCK2HRH3ROCK1GRK2
SCHEMBL17464751 0.88 HTR6 (0.40) SMYD3HRH3POLBGRM2
SCHEMBL17458573 0.87 ROCK2 (0.39) ROCK2POLBGRK2GRK1GRK5
SCHEMBL17458521 0.85 POLB (0.38) ROCK2POLBROCK1GRK2GRK1
SCHEMBL17464743 0.85 BRD4 (0.37) ROCK2ROCK1GRK2GRK1GRK5
SCHEMBL17467766 0.85 BRD4 (0.37) ROCK2ROCK1GRK2GRK1GRK5
SCHEMBL17467804 0.85 BRD4 (0.37) ROCK2ROCK1GRK2GRK1GRK5
SCHEMBL17464737 0.85 BRD4 (0.37) ROCK2ROCK1GRK2GRK1GRK5

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 SMYD3 2453/4885ROCK2 4542/4885HRH3 2022/4885

“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.