SCHEMBL2116804

SCHEMBL2116804

COc1ccc(S(=O)(=O)Nc2cc(-c3ccc(C)s3)ccc2C)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 1/20 0.46
PTGES2 Q9H7Z7 1/20 0.43
PIK3CG P48736 3/20 0.42
PIK3CD O00329 3/20 0.42
PIK3CA P42336 3/20 0.42
PIK3CB P42338 2/20 0.42
HSD17B1 P14061 1/20 0.42
HSD17B2 P37059 1/20 0.42
ALDH1A1 P00352 4/20 0.41
HPGD P15428 3/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 4/20 0.41
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 1/20 0.40
PABPC1 P11940 1/20 0.40
KMT2A Q03164 1/20 0.40
DRD2 P14416 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40

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
SCHEMBL2118481 0.85 GHSR (0.49) KITPTGES2PIK3CGPIK3CDPIK3CA
SCHEMBL2117734 0.85 KIT (0.44) KITPTGES2PIK3CGPIK3CDPIK3CA
SCHEMBL2119304 0.85 ALDH1A1 (0.43) PIK3CGHSD17B1HSD17B2ALDH1A1HPGD
SCHEMBL2119816 0.84 KIT (0.45) KITPTGES2PIK3CGPIK3CDPIK3CA
SCHEMBL2118535 0.80 MAPT (0.43) PIK3CGHSD17B1HSD17B2ALDH1A1HPGD
SCHEMBL2121929 0.80 MAPT (0.51) KITPTGES2ALDH1A1MAPTMEN1
SCHEMBL2119780 0.80 KIT (0.45) KITPTGES2ALDH1A1HPGDLMNA
SCHEMBL2117625 0.79 HSD17B1 (0.48) PIK3CGPIK3CDHSD17B1HSD17B2ALDH1A1
SCHEMBL2119478 0.79 HSD17B2 (0.53) PIK3CDHSD17B1HSD17B2ALDH1A1LMNA
SCHEMBL2121431 0.79 POLB (0.54) PIK3CDHSD17B1HSD17B2ALDH1A1SMN1; SMN2

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 1 patent. 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

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 KIT 9/4885PTGES2 566/4885PIK3CG 2585/4885

“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.