SCHEMBL644441

SCHEMBL644441

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

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NMT1 P30419 2/20 0.41
AVPR1B P47901 2/20 0.39
F2 P00734 1/20 0.38
AVPR1A P37288 4/20 0.37
TSHR P16473 2/20 0.37
GLA P06280 1/20 0.37
TAAR1 Q96RJ0 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
BDKRB1 P46663 4/20 0.34
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL12010357 0.88 MEN1 (0.44) NMT1AVPR1BF2AVPR1ATSHR
SCHEMBL3663168 0.85 NMT1 (0.44) NMT1AVPR1BF2AVPR1ATSHR
SCHEMBL493181 0.83 ALDH1A1 (0.47) NMT1AVPR1BF2AVPR1ATSHR
SCHEMBL644440 0.82 NMT1 (0.40) NMT1AVPR1BF2AVPR1ATSHR
SCHEMBL643365 0.80 NMT1 (0.41) NMT1AVPR1BF2AVPR1ATSHR
SCHEMBL3440038 0.80 AVPR1B (0.45) NMT1AVPR1BF2AVPR1AALDH1A1
SCHEMBL12010358 0.79 NMT1 (0.40) NMT1AVPR1BF2AVPR1ATSHR
SCHEMBL13017225 0.77 ALDH1A1 (0.41) NMT1AVPR1BF2AVPR1ATSHR
SCHEMBL3440083 0.76 NMT1 (0.40) NMT1AVPR1BF2AVPR1ATSHR
SCHEMBL492920 0.76 BDKRB1 (0.47) BDKRB1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2150530-B1 SUBSTITUTED SULFONAMIDE DERIVATIVES GRUENENTHAL GMBH (DE) 2011-10-26 EP claimed
US-20080312231-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2008-12-18 US claimed
US-8119633-B2 N-{2-[2-(4-benzyl-4-hydroxy-piperidin-1-yl)-2-oxo-ethoxy]-ethyl}-N-ethyl-4-methoxy-2,3,6-trimethyl-phenylsulfonamide; condensing the N-carboxyalkyl phenylsulfonamide with the substituted piperidine; bradykinin receptor antagonists; analgesics; antidiabetics; angiogenesis inhibitors; rheumatic diseases GRUENENTHAL GMBH (DE) 2012-02-21 US disclosed
EP-2150530-B1 SUBSTITUTED SULFONAMIDE DERIVATIVES GRUENENTHAL GMBH (DE) 2011-10-26 EP disclosed
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 2800/4885AVPR1B 878/4885F2 1898/4885

“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.