SCHEMBL2117776

SCHEMBL2117776

COc1cccc(S(=O)(=O)Nc2cc(-c3ccc(C#N)s3)ccc2C)n1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACLY P53396 4/20 0.38
PGR P06401 2/20 0.38
MAPT P10636 6/20 0.37
ALDH1A1 P00352 6/20 0.36
KDM4E B2RXH2 5/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SCN9A Q15858 1/20 0.36
PTGES2 Q9H7Z7 1/20 0.36
HPGD P15428 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
LMNA P02545 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 1/20 0.36
HSD17B1 P14061 1/20 0.35
HSD17B2 P37059 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL2117338 0.88 MAPT (0.40) ACLYPGRMAPTALDH1A1KDM4E
SCHEMBL2119688 0.82 PRF1 (0.47) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL2118049 0.82 ALDH1A1 (0.40) ACLYMAPTALDH1A1KDM4EMEN1
SCHEMBL2117835 0.81 MAPT (0.39) PGRMAPTALDH1A1HSD17B1HSD17B2
SCHEMBL2119262 0.81 MAPT (0.37) ACLYPGRMAPTALDH1A1KDM4E
SCHEMBL2119515 0.78 CCR9 (0.40) ACLYMAPTALDH1A1HSD17B1HSD17B2
SCHEMBL2120761 0.77 HSD17B1 (0.43) ACLYPGRMAPTALDH1A1KDM4E
SCHEMBL29498140 0.77 CYP2C9 (0.47) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL2119299 0.75 P2RX7 (0.43) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL2116620 0.75 TRIM24 (0.46) MAPTMEN1KMT2APTGES2SMN1; 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 ACLY 1578/4885PGR 1586/4885MAPT 4747/4885

“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.