SCHEMBL2117007

SCHEMBL2117007

Cc1cc(-c2ccc(C)c(NS(=O)(=O)c3cccs3)c2)cs1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
KDM4E B2RXH2 4/20 0.56
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
MAPT P10636 2/20 0.56
TP53 P04637 1/20 0.48
HPGD P15428 2/20 0.47
NPC1 O15118 2/20 0.46
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
RAB9A P51151 1/20 0.46
ATM Q13315 1/20 0.46
CCR2 P41597 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
BRD4 O60885 1/20 0.45
TSHR P16473 1/20 0.44

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
SCHEMBL2119311 0.84 ALDH1A1 (0.46) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL2119347 0.82 KMT2A (0.50) ALDH1A1KMT2AMEN1MAPTTP53
SCHEMBL2119222 0.81 ALDH1A1 (0.61) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL2117333 0.81 ALDH1A1 (0.54) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL2119958 0.78 CCR2 (0.45) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL2119329 0.78 GHSR (0.45) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL2119379 0.77 SLC40A1 (0.46) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL7590525 0.76 NPC1 (0.63) ALDH1A1KDM4EKMT2ATP53HPGD
SCHEMBL2118650 0.76 KDM4E (0.55) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL2117662 0.76 POLB (0.42) ALDH1A1KMT2AMEN1MAPTTP53

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 ALDH1A1 1063/4885KDM4E 191/4885KMT2A 290/4885

“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.