SCHEMBL2117829

SCHEMBL2117829

COc1cc(-c2cc(N(C)S(=O)(=O)c3ccc(C)cc3)ccc2C)ccc1C#N

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCOLN3 Q8TDD5 3/20 0.45
MAPT P10636 2/20 0.45
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
AR P10275 2/20 0.42
PGR P06401 1/20 0.42
BRPF1 P55201 1/20 0.41
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP2C9 P11712 1/20 0.39
POLB P06746 1/20 0.38
LMNA P02545 2/20 0.38
GAA P10253 1/20 0.38
ATM Q13315 1/20 0.38
SCN9A Q15858 2/20 0.38

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
SCHEMBL2117920 0.88 MAPT (0.50) MCOLN3MAPTHTTNPSR1L3MBTL1
SCHEMBL2117926 0.88 MAPT (0.50) MCOLN3MAPTHTTNPSR1L3MBTL1
SCHEMBL2119973 0.85 MAPT (0.47) MCOLN3MAPTHTTNPSR1L3MBTL1
SCHEMBL2119843 0.85 MAPT (0.47) MCOLN3MAPTHTTNPSR1L3MBTL1
SCHEMBL2121852 0.84 PGR (0.46) MCOLN3MAPTHTTNPSR1L3MBTL1
SCHEMBL2120655 0.84 PGR (0.46) MCOLN3MAPTHTTNPSR1L3MBTL1
SCHEMBL2118769 0.81 MAPT (0.52) MCOLN3MAPTHTTNPSR1L3MBTL1
SCHEMBL2118113 0.80 MAPT (0.54) MCOLN3MAPTHTTNPSR1L3MBTL1
SCHEMBL2121835 0.78 STAT3 (0.52) MAPTNPSR1L3MBTL1PGRBRPF1
SCHEMBL2118391 0.78 MAPT (0.48) MCOLN3MAPTHTTNPSR1L3MBTL1

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-20120095024-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-20120095024-A1 TOLUIDINE SULFONAMIDES AND THEIR USE HIF1AN, HIF1A, EGLN2 MCOLN3 4803/4885MAPT 4523/4885HTT 1469/4885

“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.