SCHEMBL2118049

SCHEMBL2118049

COc1cc(S(=O)(=O)Nc2cc(-c3ccc(C#N)s3)ccc2C)ccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
HPGD P15428 3/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 5/20 0.40
KDM4E B2RXH2 4/20 0.40
HSP90AA1 P07900 1/20 0.39
ACLY P53396 2/20 0.38
HSD17B1 P14061 1/20 0.38
HSD17B2 P37059 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SCN9A Q15858 2/20 0.37
PIK3CA P42336 2/20 0.37
MTOR P42345 2/20 0.37
PIK3CG P48736 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL2119304 0.89 ALDH1A1 (0.43) ALDH1A1HPGDLMNASMN1; SMN2MAPT
SCHEMBL2120761 0.84 HSD17B1 (0.43) ALDH1A1HPGDLMNASMN1; SMN2MAPT
SCHEMBL2119300 0.84 ACLY (0.54) MAPTACLYSCN9APIK3CAMTOR
SCHEMBL2119262 0.83 MAPT (0.37) ALDH1A1HPGDLMNASMN1; SMN2MAPT
SCHEMBL29498140 0.82 CYP2C9 (0.47) ALDH1A1LMNAMAPTKDM4EHSD17B1
SCHEMBL2116757 0.82 MAPT (0.41) ALDH1A1HPGDLMNASMN1; SMN2MAPT
SCHEMBL2117776 0.82 ACLY (0.38) ALDH1A1HPGDLMNASMN1; SMN2MAPT
SCHEMBL2119338 0.81 GHSR (0.47) ALDH1A1HPGDLMNASMN1; SMN2MAPT
SCHEMBL2119515 0.80 CCR9 (0.40) ALDH1A1MAPTACLYHSD17B1HSD17B2
SCHEMBL2117835 0.80 MAPT (0.39) ALDH1A1MAPTHSD17B1HSD17B2PIK3CA

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 ALDH1A1 1063/4885HPGD 1027/4885LMNA 2810/4885

“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.