SCHEMBL17464759

SCHEMBL17464759

Cc1cncc(S(=O)(=O)N2CCC(Cn3ccc4cc(-c5cn[nH]c5)ccc43)CC2)c1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.37
ATM Q13315 1/20 0.36
GRM2 Q14416 1/20 0.36
THRB P10828 1/20 0.35
KDM1A O60341 1/20 0.34
KMT2A Q03164 2/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
LRRK2 Q5S007 1/20 0.34
MEN1 O00255 1/20 0.33
WNT1 P04628 1/20 0.33
GSK3B P49841 1/20 0.33
DYRK1A Q13627 1/20 0.33
MAPT P10636 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
SCHEMBL17458536 0.90 TP53 (0.39) TP53ATMGRM2KMT2APOLB
SCHEMBL17464712 0.88 HTR6 (0.42) TP53ATMGRM2THRBKDM1A
SCHEMBL17458595 0.87 KDM4E (0.43) KMT2APOLBMEN1
SCHEMBL17458593 0.87 HTR6 (0.44) GRM2POLBWNT1GSK3BDYRK1A
SCHEMBL17464753 0.86 TP53 (0.39) TP53ATMGRM2THRBPOLB
SCHEMBL17458566 0.86 THRB (0.47) TP53THRBKMT2ANPC1MEN1
SCHEMBL17464705 0.85 CNR2 (0.38) TP53ATMGRM2THRBPOLB
SCHEMBL17458548 0.85 LRRK2 (0.45) GRM2KDM1ALRRK2WNT1GSK3B
SCHEMBL17458587 0.85 LMNA (0.40) TP53ATMGRM2POLBMAPT
SCHEMBL17458574 0.85 ALDH1A1 (0.41) TP53ATMKMT2AMAPT

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
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 2666/4885ATM 4697/4885GRM2 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.