Sugi Predict

Sugi Predict / Compounds / SCHEMBL4117203

SCHEMBL4117203

SCHEMBL4117203

COc1cc(C)c(S(=O)(=O)N2CCCC(COCC(=O)O)C2)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ BDKRB1 P46663 4/20 0.43
▸ CYP19A1 P11511 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 4/20 0.41
▸ GAA P10253 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ PTGIR P43119 1/20 0.40
▸ EPHX2 P34913 1/20 0.40

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
SCHEMBL5122612 0.95 BDKRB1 (0.45) BDKRB1PTGIREPHX2
SCHEMBL4123581 0.84 NPSR1 (0.44) TSHRNPSR1BDKRB1ALDH1A1LMNA
SCHEMBL5093765 0.83 CYP19A1 (0.45) TSHRNPSR1CYP19A1ALDH1A1LMNA
SCHEMBL3441446 0.82 RAB9A (0.43) BDKRB1
SCHEMBL2560595 0.82 RAB9A (0.43) BDKRB1
SCHEMBL5131522 0.81 BDKRB1 (0.43) BDKRB1ALDH1A1POLB
SCHEMBL4121025 0.81 CNR1 (0.46) TSHRNPSR1CYP19A1MAPTPOLB
SCHEMBL5131416 0.80 CCR1 (0.49) TSHRBDKRB1ALDH1A1LMNAMAPT
SCHEMBL4111436 0.79 BDKRB1 (0.41) TSHRNPSR1BDKRB1ALDH1A1MEN1
SCHEMBL700919 0.79 BDKRB1 (0.41) BDKRB1

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 9 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-20090253669-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-08 — — US disclosed
US-20090253669-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-08 — — US disclosed
US-20090253669-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-08 — — 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 (2 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 TSHR 645/4885NPSR1 3/4885BDKRB1 1/4885
US-20090253669-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 TSHR 3282/4885NPSR1 394/4885BDKRB1 3589/4885

“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.