SCHEMBL4084739

SCHEMBL4084739

CC(=O)OC(C)(C)C.COc1cc(C)c(S(=O)(=O)CNCCOCC(=O)O)c(C)c1C

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.34
AVPR1B P47901 6/20 0.33
AVPR1A P37288 1/20 0.33
NMT1 P30419 2/20 0.32
EPHX2 P34913 1/20 0.32
TSHR P16473 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
MAPT P10636 1/20 0.30

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
SCHEMBL492918 0.91 F2 (0.39) F2AVPR1BAVPR1ANMT1EPHX2
SCHEMBL4084741 0.80 BDKRB1 (0.43)
SCHEMBL571406 0.77 BDKRB1 (0.37) TSHR
SCHEMBL15347788 0.76 BDKRB1 (0.37) TSHR
SCHEMBL4461535 0.75 FABP4 (0.43) F2EPHX2MAPT
SCHEMBL4781829 0.74 BDKRB1 (0.36)
SCHEMBL5087475 0.72 F2 (0.40) F2AVPR1BAVPR1ANMT1EPHX2
SCHEMBL493488 0.71 NPSR1 (0.46) TSHR
SCHEMBL4475594 0.71 KDM4E (0.40) TSHRPTGDR2MAPT
SCHEMBL5130040 0.71 MEN1 (0.39) EPHX2TSHRPTGDR2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8263598-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2012-09-11 US disclosed
US-20090186899-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-07-23 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-20090186899-A1 Substituted Sulfonamide Compounds BDKRB1, BDKRB2, NPSR1 F2 188/4885AVPR1B 64/4885AVPR1A 63/4885

“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.