SCHEMBL5125598

SCHEMBL5125598

COc1cc(C)c(S(=O)(=O)N2CCC(OCC(=O)O)C2)c(C)c1C

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.49
HTR6 P50406 1/20 0.41
TSHR P16473 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
AVPR1A P37288 1/20 0.37
AVPR1B P47901 3/20 0.37
FPR2 P25090 4/20 0.37
PROKR1 Q8TCW9 4/20 0.37
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.35
PTGDR Q13258 1/20 0.35

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
SCHEMBL5132127 0.94 EPHX2 (0.46) EPHX2HTR6TSHRNPSR1LMNA
SCHEMBL5123711 0.94 EPHX2 (0.53) EPHX2HTR6TSHRAVPR1AAVPR1B
SCHEMBL5128634 0.87 EPHX2 (0.42) EPHX2
SCHEMBL4111436 0.86 BDKRB1 (0.41) EPHX2TSHRNPSR1FPR2PROKR1
SCHEMBL4119445 0.84 EPHX2 (0.49) EPHX2
SCHEMBL3817162 0.80 EPHX2 (0.41) EPHX2HTR6AVPR1AAVPR1BFPR2
SCHEMBL5131959 0.80 EPHX2 (0.53) EPHX2HTR6TSHRFPR2PROKR1
SCHEMBL4123581 0.80 NPSR1 (0.44) TSHRNPSR1LMNA
SCHEMBL5085809 0.78 TSHR (0.54) EPHX2TSHR
SCHEMBL492268 0.76 EPHX2 (0.41) EPHX2HTR6AVPR1AAVPR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8580965-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-11-12 US disclosed
US-8580965-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-11-12 US disclosed
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
US-20080249128-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2008-10-09 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 EPHX2 1287/4885HTR6 526/4885TSHR 645/4885

“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.