SCHEMBL2118028

SCHEMBL2118028

CCn1ccc(S(=O)(=O)Nc2cc(-c3ccc(C#N)cn3)ccc2C)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.42
HSD11B1 P28845 2/20 0.42
TP53 P04637 5/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
PIK3CA P42336 1/20 0.39
MTOR P42345 1/20 0.39
ACLY P53396 1/20 0.38
KDM1A O60341 1/20 0.38
MAOA P21397 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL2122228 0.88 ACLY (0.48) MAPTHSD11B1ACLYRXFP1ALDH1A1
SCHEMBL2122365 0.87 MAPT (0.43) MAPTHSD11B1TP53SMN1; SMN2PIK3CA
SCHEMBL2119833 0.84 MAPT (0.52) MAPTTP53SMN1; SMN2PIK3CAMTOR
SCHEMBL2121296 0.80 KDM4E (0.36) MAPTHSD11B1PIK3CAKDM1AMAOA
SCHEMBL2122713 0.80 HSD11B1 (0.47) MAPTHSD11B1TP53SMN1; SMN2PIK3CA
SCHEMBL2119726 0.80 KDM1A (0.48) MAPTHSD11B1TP53SMN1; SMN2PIK3CA
SCHEMBL2119034 0.80 TP53 (0.52) MAPTHSD11B1TP53SMN1; SMN2ACLY
SCHEMBL2117136 0.79 TP53 (0.42) MAPTHSD11B1TP53SMN1; SMN2PIK3CA
SCHEMBL2117860 0.79 HSD11B1 (0.40) MAPTHSD11B1TP53SMN1; SMN2PIK3CA
SCHEMBL2117492 0.78 KDM1A (0.40) HSD11B1PIK3CAMTORACLYKDM1A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120095012-A1 TOLUIDINE SULFONAMIDES AND THEIR USE ELARA PHARMACEUTICALS GMBH (DE) 2012-04-19 US disclosed
EP-2382190-A1 TOLUIDINE SULFONAMIDES AND THEIR USE AS-INHIBITORS European Molecular Biology Laboratory (EMBL) (DE) 2011-11-02 EP 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-20120095012-A1 TOLUIDINE SULFONAMIDES AND THEIR USE HIF1A, HIF1AN, EGLN3 MAPT 4747/4885HSD11B1 3376/4885TP53 249/4885

“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.