SCHEMBL17458573

SCHEMBL17458573

O=S(=O)(CCc1ccccc1)N1CCC(Cn2ccc3cc(-c4cn[nH]c4)ccc32)CC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 6/20 0.39
POLB P06746 1/20 0.39
FAAH O00519 1/20 0.38
LMNA P02545 1/20 0.38
GRK2 P25098 2/20 0.36
GRK1 Q15835 2/20 0.36
GRK5 P34947 1/20 0.36
GRM2 Q14416 1/20 0.36
MTOR P42345 1/20 0.35
PRMT5 O14744 1/20 0.35
ACHE P22303 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
SCHEMBL17458515 0.97 POLB (0.37) ROCK2POLBFAAHLMNAGRK2
SCHEMBL17458521 0.95 POLB (0.38) ROCK2POLBFAAHLMNAGRK2
SCHEMBL17458559 0.91 ROCK2 (0.41) ROCK2GRK2GRK1GRK5
SCHEMBL19472503 0.90 FAAH (0.38) ROCK2POLBFAAHLMNAGRK2
SCHEMBL17458556 0.88 HPGD (0.39) ROCK2LMNAMTORACHE
SCHEMBL17463037 0.87 FAAH (0.37) ROCK2FAAHLMNAMTOR
SCHEMBL19461728 0.87 FAAH (0.39) ROCK2FAAHLMNAGRK2GRK1
SCHEMBL17464752 0.87 SMYD3 (0.39) ROCK2POLBGRK2GRK1GRK5
SCHEMBL17458593 0.87 HTR6 (0.44) POLBLMNAGRM2
SCHEMBL17458578 0.86 ROCK2 (0.40) ROCK2POLBLMNAGRK2GRK1

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 13 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 claimed
EP-3172195-A1 SULFONAMIDE RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF Innov17 LLC (US) 2017-05-31 EP claimed
US-20160024056-A1 SULFONAMIDE RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF INNOV17 LLC 2016-01-28 US claimed
WO-2016014910-A1 SULFONAMIDE RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF INNOV17 LLC (US) 2016-01-28 WO claimed
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-9701663-B2 Sulfonamide retinoic acid receptor-related orphan receptor modulators and uses thereof INNOV17 LLC (US) 2017-07-11 US disclosed
EP-3172195-A1 SULFONAMIDE RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF Innov17 LLC (US) 2017-05-31 EP 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
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

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 ROCK2 4542/4885POLB 3642/4885FAAH 2297/4885

“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.