SCHEMBL5087475

SCHEMBL5087475

COc1cc(C)c(S(=O)(=O)CNCCC(N)=O)c(C)c1C

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.40
NMT1 P30419 2/20 0.39
AVPR1B P47901 5/20 0.37
AVPR1A P37288 2/20 0.37
CD274 Q9NZQ7 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
PDCD1 Q15116 1/20 0.35
EPHX2 P34913 1/20 0.35
PLG P00747 1/20 0.35
PAX8 Q06710 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
SCHEMBL5087478 0.82 NMT1 (0.41) F2NMT1AVPR1BAVPR1AMEN1
SCHEMBL492918 0.80 F2 (0.39) F2NMT1AVPR1BAVPR1AMEN1
SCHEMBL644440 0.73 NMT1 (0.40) F2NMT1AVPR1BAVPR1AMEN1
SCHEMBL4084739 0.72 F2 (0.34) F2NMT1AVPR1BAVPR1AMAPT
SCHEMBL6838383 0.72 F2 (0.48) F2NMT1AVPR1BAVPR1AMEN1
SCHEMBL5125870 0.71 HTT (0.43) ALDH1A1
SCHEMBL4000323 0.69 TSHR (0.40) MEN1KMT2AALDH1A1
SCHEMBL6438890 0.68 AVPR1B (0.51) F2NMT1AVPR1BAVPR1APLG
SCHEMBL29381119 0.68 NMT1 (0.49) F2NMT1MEN1KMT2A
SCHEMBL114242 0.68 NMT1 (0.49) F2NMT1MEN1KMT2A

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-20080312231-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2008-12-18 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-20080312231-A1 Substituted Sulfonamide Compounds SULT2A1, SULT1A1, SCN1A F2 1898/4885NMT1 2800/4885AVPR1B 878/4885

“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.