SCHEMBL4356188

SCHEMBL4356188

COc1cc(C)c(S(=O)(=O)N2c3ccccc3CCC2COCC(=O)N2CCc3[nH]cnc3C2c2ccccc2)c(C)c1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 9/20 0.36
AVPR1B P47901 9/20 0.36
AOC3 Q16853 1/20 0.36
BDKRB1 P46663 4/20 0.34
PSEN1 P49768 4/20 0.34
PSEN2 P49810 4/20 0.34
APH1B Q8WW43 4/20 0.34
NCSTN Q92542 4/20 0.34
APH1A Q96BI3 4/20 0.34
PSENEN Q9NZ42 4/20 0.34
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33
ALOX15 P16050 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
SCHEMBL4345303 0.89 NPC1 (0.39) AOC3BDKRB1TP53GAA
SCHEMBL4345307 0.81 BDKRB1 (0.38) AOC3BDKRB1TP53
SCHEMBL4353756 0.80 AOC3 (0.38) AOC3BDKRB1TP53
SCHEMBL3441682 0.80 PSEN1 (0.42) AVPR1AAVPR1BPSEN1PSEN2APH1B
SCHEMBL700119 0.80 PSEN1 (0.42) AVPR1AAVPR1BPSEN1PSEN2APH1B
SCHEMBL4348181 0.80 BDKRB1 (0.52) BDKRB1
SCHEMBL4348168 0.78 BDKRB1 (0.43) AOC3BDKRB1
SCHEMBL4353803 0.77 RAB9A (0.38) AOC3TP53
SCHEMBL4345057 0.77 BDKRB1 (0.44) AOC3BDKRB1
SCHEMBL2564813 0.75 BDKRB1 (0.59) BDKRB1PSEN1PSEN2APH1BNCSTN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8268814-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2012-09-18 US claimed
US-20090275558-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS GRUENENTHAL GMBH (DE) 2009-11-05 US claimed
US-8268814-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2012-09-18 US disclosed
US-20090275558-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS GRUENENTHAL GMBH (DE) 2009-11-05 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-20090275558-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS BDKRB2, BDKRB1, TRPV1 AVPR1A 72/4885AVPR1B 64/4885AOC3 4024/4885

“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.