SCHEMBL17458582

SCHEMBL17458582

O=S(=O)(c1ccc(C(F)F)cc1)N1CCC(Cn2ccc3cc(-c4cn[nH]c4)ccc32)CC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.38
LMNA P02545 1/20 0.36
GRM2 Q14416 2/20 0.36
ATM Q13315 1/20 0.36
THRB P10828 1/20 0.35
MAPT P10636 1/20 0.35
HTR2B P41595 1/20 0.34
POLB P06746 1/20 0.34
AURKA O14965 1/20 0.34
AURKB Q96GD4 1/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 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
SCHEMBL17458574 0.90 ALDH1A1 (0.41) TP53LMNAATMMAPTHTR2B
SCHEMBL17458587 0.89 LMNA (0.40) TP53LMNAGRM2ATMMAPT
SCHEMBL17458593 0.88 HTR6 (0.44) LMNAGRM2HTR2BPOLB
SCHEMBL17458566 0.88 THRB (0.47) TP53THRBMAPTKMT2AMEN1
SCHEMBL17464712 0.88 HTR6 (0.42) TP53GRM2ATMTHRBHTR2B
SCHEMBL17464720 0.87 CYP19A1 (0.42) LMNAATMMAPTHTR2BKMT2A
SCHEMBL17456790 0.87 HTR2B (0.34) TP53LMNAMAPTHTR2BAURKA
SCHEMBL17453790 0.86 LRRK2 (0.35) LMNAHTR2BAURKAAURKB
SCHEMBL17458532 0.85 HTR6 (0.41) TP53LMNAGRM2ATMMAPT
SCHEMBL17464753 0.84 TP53 (0.39) TP53LMNAGRM2ATMTHRB

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
WO-2016014910-A1 SULFONAMIDE RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF INNOV17 LLC (US) 2016-01-28 WO claimed
US-20160024056-A1 SULFONAMIDE RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF INNOV17 LLC 2016-01-28 US 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
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
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 TP53 2666/4885LMNA 3352/4885GRM2 628/4885

“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.