SCHEMBL643365

SCHEMBL643365

COc1cc(C)c(S(=O)(=O)N(C)CCC#N)c(C)c1C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NMT1 P30419 2/20 0.41
PDE4A P27815 6/20 0.38
PDE4B Q07343 6/20 0.38
PDE4C Q08493 6/20 0.38
PDE4D Q08499 6/20 0.38
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.37
AVPR1A P37288 1/20 0.36
AVPR1B P47901 1/20 0.36
TSHR P16473 4/20 0.36
GLA P06280 1/20 0.36
ALDH1A1 P00352 3/20 0.35
F2 P00734 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 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
SCHEMBL3663168 0.83 NMT1 (0.44) NMT1PDE4DKMT2AAVPR1AAVPR1B
SCHEMBL493181 0.82 ALDH1A1 (0.47) NMT1KMT2AAVPR1AAVPR1BTSHR
SCHEMBL12010357 0.81 MEN1 (0.44) NMT1KMT2AAVPR1AAVPR1BTSHR
SCHEMBL644441 0.80 NMT1 (0.41) NMT1KMT2AAVPR1AAVPR1BTSHR
SCHEMBL3440038 0.79 AVPR1B (0.45) NMT1LMNAAVPR1AAVPR1BALDH1A1
SCHEMBL644440 0.78 NMT1 (0.40) NMT1KMT2AAVPR1AAVPR1BTSHR
SCHEMBL12010358 0.78 NMT1 (0.40) NMT1AVPR1AAVPR1BTSHRGLA
SCHEMBL13017225 0.76 ALDH1A1 (0.41) NMT1KMT2AAVPR1AAVPR1BTSHR
SCHEMBL492920 0.75 BDKRB1 (0.47)
SCHEMBL3440083 0.75 NMT1 (0.40) NMT1KMT2AAVPR1AAVPR1BTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2800/4885PDE4A 1407/4885PDE4B 1402/4885

“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.