SCHEMBL642950

SCHEMBL642950

COc1cc(C)c(S(=O)(=O)N(C)CCCNC(=O)NCC2CCC(C(c3ccccc3)N(C)C)CC2)c(C)c1C

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 8/20 0.45
AVPR1A P37288 7/20 0.38
F2 P00734 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALPL P05186 1/20 0.34
ALPI P09923 1/20 0.34
ALPG P10696 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
BMP1 P13497 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
SCHEMBL645571 0.90 AVPR1B (0.46) AVPR1BAVPR1AF2MEN1KMT2A
SCHEMBL493144 0.86 BDKRB1 (0.40) AVPR1BAVPR1A
SCHEMBL643095 0.85 AVPR1B (0.48) AVPR1BAVPR1AMEN1KMT2A
SCHEMBL2492035 0.84 AVPR1B (0.46) AVPR1BAVPR1AMEN1KMT2A
SCHEMBL493601 0.79 AVPR1B (0.37) AVPR1BAVPR1AF2ALDH1A1LMNA
SCHEMBL493122 0.79 AVPR1A (0.40) AVPR1A
SCHEMBL493441 0.78 AVPR1A (0.40) AVPR1BAVPR1AF2ALDH1A1LMNA
SCHEMBL492956 0.78 BDKRB1 (0.38) AVPR1B
SCHEMBL643968 0.78 AVPR1B (0.43) AVPR1BAVPR1A
SCHEMBL492675 0.78 BDKRB1 (0.41) AVPR1BAVPR1AALDH1A1SMN1; SMN2

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 AVPR1B 878/4885AVPR1A 1096/4885F2 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.