SCHEMBL5087478

SCHEMBL5087478

COc1cc(C)c(S(=O)(=O)CNCCCN)c(C)c1C

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NMT1 P30419 2/20 0.41
F2 P00734 1/20 0.39
AVPR1B P47901 5/20 0.36
AVPR1A P37288 3/20 0.34
TAAR1 Q96RJ0 1/20 0.34
CHRM2 P08172 1/20 0.34
NR3C1 P04150 1/20 0.33
PGR P06401 1/20 0.33
NR3C2 P08235 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
EPHX2 P34913 1/20 0.32
SLC2A1 P11166 1/20 0.32

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
SCHEMBL5087475 0.82 F2 (0.40) NMT1F2AVPR1BAVPR1AMEN1
SCHEMBL492918 0.77 F2 (0.39) NMT1F2AVPR1BAVPR1AMEN1
SCHEMBL644441 0.72 NMT1 (0.41) NMT1F2AVPR1BAVPR1ATAAR1
SCHEMBL114242 0.70 NMT1 (0.49) NMT1F2NR3C1PGRNR3C2
SCHEMBL29381119 0.70 NMT1 (0.49) NMT1F2NR3C1PGRNR3C2
SCHEMBL4084739 0.70 F2 (0.34) NMT1F2AVPR1BAVPR1AEPHX2
SCHEMBL27544457 0.69 NMT1 (0.51) NMT1F2AVPR1BAVPR1ANR3C1
SCHEMBL8295856 0.68 NMT1 (0.50) NMT1F2AVPR1BNR3C1PGR
SCHEMBL248149 0.68 NMT1 (0.50) NMT1F2AVPR1BAVPR1ANR3C1
SCHEMBL4000323 0.68 TSHR (0.40) MEN1KMT2ASLC2A1

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 NMT1 2800/4885F2 1898/4885AVPR1B 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.