SCHEMBL17458557

SCHEMBL17458557

CC(c1ccccc1)S(=O)(=O)N1CCC(Cn2ccc3cc(Br)ccc32)CC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
POLB P06746 3/20 0.40
TP53 P04637 2/20 0.40
FABP4 P15090 2/20 0.39
NTSR1 P30989 1/20 0.39
HTR7 P34969 3/20 0.38
FABP3 P05413 1/20 0.36
FABP2 P12104 1/20 0.36
FABP5 Q01469 1/20 0.36
HTR6 P50406 2/20 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
SCHEMBL17458590 0.85 LMNA (0.44) LMNAPOLBTP53HTR7HTR6
SCHEMBL17458530 0.83 CHRM1 (0.48) LMNAPOLBTP53FABP4HTR7
SCHEMBL17458537 0.82 LMNA (0.40) LMNAPOLBTP53HTR6ACHE
SCHEMBL17458509 0.80 LMNA (0.39) LMNAPOLBTP53NTSR1ACHE
SCHEMBL17458525 0.79 POLB (0.44) LMNAPOLBFABP4HTR7ACHE
SCHEMBL17063383 0.74 KDM4E (0.46) ACHE
SCHEMBL17063266 0.71 POLB (0.50) POLBACHE
SCHEMBL17078958 0.70 HTR7 (0.44) FABP4NTSR1HTR7FABP3FABP2
SCHEMBL17079081 0.70 ACHE (0.46) HTR7ACHE
SCHEMBL17063326 0.70 SMN1; SMN2 (0.51)

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 4 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
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

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 LMNA 3352/4885HTR2A 2411/4885HTR2C 3839/4885

“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.