SCHEMBL2118462

SCHEMBL2118462

COc1nccc(S(=O)(=O)Nc2cc(-c3ccc(C#N)cn3)ccc2C)n1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.39
MTOR P42345 3/20 0.39
ACLY P53396 2/20 0.38
SGK1 O00141 1/20 0.38
MAPT P10636 3/20 0.37
ALPL P05186 2/20 0.36
HSD11B1 P28845 1/20 0.36
BRD1 O95696 2/20 0.35
BRPF1 P55201 2/20 0.35
BRPF3 Q9ULD4 2/20 0.35
BRD4 O60885 1/20 0.35
BRD9 Q9H8M2 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SCN9A Q15858 1/20 0.34
STAT3 P40763 1/20 0.34

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
SCHEMBL2119339 0.89 ACLY (0.48) PIK3CAMTORACLYALPLHSD11B1
SCHEMBL2119232 0.86 MAPT (0.45) PIK3CAMTORSGK1MAPTKDM4E
SCHEMBL2119308 0.83 ACLY (0.39) PIK3CAMTORACLYSGK1MAPT
SCHEMBL2117210 0.83 MAPT (0.42) PIK3CAMTORACLYSGK1MAPT
SCHEMBL2120060 0.82 HSD11B1 (0.45) ACLYSGK1MAPTHSD11B1
SCHEMBL2120392 0.82 PIK3CA (0.43) PIK3CAMTORACLYMAPTHSD11B1
SCHEMBL2117509 0.79 ACLY (0.42) PIK3CAMTORACLYSGK1MAPT
SCHEMBL2117738 0.79 ACLY (0.46) PIK3CAMTORACLYMAPTHSD11B1
SCHEMBL2119673 0.78 ACLY (0.43) PIK3CAMTORACLYSGK1MAPT
SCHEMBL2119426 0.77 SGK1 (0.45) PIK3CAMTORACLYSGK1ALPL

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 PIK3CA 712/4885MTOR 110/4885ACLY 1578/4885

“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.