SCHEMBL2117738

SCHEMBL2117738

COc1ccc(S(=O)(=O)Nc2cc(-c3ccc(C#N)cn3)ccc2C)cn1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACLY P53396 3/20 0.46
KIT P10721 1/20 0.44
PIK3CA P42336 3/20 0.43
MTOR P42345 3/20 0.43
MAPT P10636 2/20 0.42
STAT3 P40763 1/20 0.41
HSD11B1 P28845 2/20 0.41
SLC22A12 Q96S37 1/20 0.41
PTGES2 Q9H7Z7 1/20 0.40
BRD1 O95696 2/20 0.39
BRPF1 P55201 2/20 0.39
BRPF3 Q9ULD4 2/20 0.39
BRD4 O60885 1/20 0.39
BRD9 Q9H8M2 1/20 0.39
KDM1A O60341 1/20 0.39
MAOA P21397 1/20 0.39

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
SCHEMBL2119673 0.87 ACLY (0.43) ACLYPIK3CAMTORMAPTSTAT3
SCHEMBL2120392 0.87 PIK3CA (0.43) ACLYPIK3CAMTORMAPTSTAT3
SCHEMBL2121929 0.86 MAPT (0.51) KITMAPTSLC22A12PTGES2BRD4
SCHEMBL2119308 0.84 ACLY (0.39) ACLYPIK3CAMTORMAPTSTAT3
SCHEMBL2119034 0.84 TP53 (0.52) ACLYMAPTHSD11B1KDM1AMAOA
SCHEMBL2122713 0.84 HSD11B1 (0.47) ACLYPIK3CAMTORMAPTHSD11B1
SCHEMBL2119726 0.84 KDM1A (0.48) ACLYPIK3CAMTORMAPTHSD11B1
SCHEMBL2117210 0.80 MAPT (0.42) ACLYPIK3CAMTORMAPTSTAT3
SCHEMBL2117136 0.80 TP53 (0.42) ACLYPIK3CAMTORMAPTHSD11B1
SCHEMBL2117860 0.80 HSD11B1 (0.40) ACLYPIK3CAMTORMAPTHSD11B1

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 ACLY 1578/4885KIT 9/4885PIK3CA 712/4885

“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.