SCHEMBL5131889

SCHEMBL5131889

COc1cc(C)c(S(=O)(=O)N(CCOCC(=O)N2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)CC2CC2)c(C)c1C

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 10/20 0.43
OPRM1 P35372 3/20 0.40
OPRL1 P41146 3/20 0.40
OPRK1 P41145 2/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR7 P34969 1/20 0.40
ADORA2A P29274 1/20 0.39
ADORA2B P29275 1/20 0.39
ADORA1 P30542 1/20 0.39
CHRM4 P08173 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
SOS1 Q07889 1/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL5128264 0.90 BDKRB1 (0.45) BDKRB1
SCHEMBL5123826 0.90 SOS1 (0.41) BDKRB1OPRM1OPRL1ADORA2AADORA2B
SCHEMBL5125449 0.88 BDKRB1 (0.42) BDKRB1OPRM1OPRL1OPRK1HTR2A
SCHEMBL5132598 0.87 BDKRB1 (0.42) BDKRB1MEN1KMT2A
SCHEMBL3829108 0.86 BDKRB1 (0.44) BDKRB1
SCHEMBL5128731 0.83 BDKRB1 (0.43) BDKRB1
SCHEMBL5127801 0.82 BDKRB1 (0.44) BDKRB1
SCHEMBL5131527 0.80 BDKRB1 (0.60) BDKRB1
SCHEMBL5128468 0.78 OPRM1 (0.40) BDKRB1OPRM1OPRL1OPRK1HTR2A
SCHEMBL5132590 0.76 ALDH1A1 (0.42) BDKRB1MEN1KMT2ASMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8580965-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-11-12 US claimed
US-20080249128-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2008-10-09 US claimed
US-8580965-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-11-12 US disclosed
US-20080249128-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2008-10-09 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-20080249128-A1 Substituted Sulfonamide Compounds BDKRB1, BDKRB2, NPSR1 BDKRB1 1/4885OPRM1 232/4885OPRL1 10/4885

“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.