SCHEMBL5132291

SCHEMBL5132291

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

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.43
TSHR P16473 1/20 0.43
ALDH1A1 P00352 4/20 0.42
MAPT P10636 3/20 0.42
LMNA P02545 4/20 0.41
HTT P42858 1/20 0.40
GAA P10253 1/20 0.39
POLB P06746 1/20 0.39
BDKRB1 P46663 2/20 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
SCHEMBL5125343 0.94 BDKRB1 (0.39) NPSR1TSHRALDH1A1BDKRB1
SCHEMBL4123581 0.89 NPSR1 (0.44) NPSR1TSHRALDH1A1MAPTLMNA
SCHEMBL4111436 0.83 BDKRB1 (0.41) NPSR1TSHRALDH1A1BDKRB1
SCHEMBL5131939 0.79 CCR1 (0.39) GAABDKRB1
SCHEMBL5122118 0.79 CCR1 (0.48) TSHRALDH1A1MAPTLMNAHTT
SCHEMBL4117203 0.78 TSHR (0.43) NPSR1TSHRALDH1A1MAPTLMNA
SCHEMBL4124553 0.78 BDKRB1 (0.40) NPSR1TSHRALDH1A1BDKRB1
SCHEMBL2833249 0.77 TSHR (0.46) NPSR1TSHRALDH1A1MAPTLMNA
SCHEMBL3826444 0.76 HSD11B1 (0.42) ALDH1A1BDKRB1
SCHEMBL5132127 0.76 EPHX2 (0.46) NPSR1TSHRALDH1A1MAPTLMNA

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 NPSR1 3/4885TSHR 645/4885ALDH1A1 2737/4885

“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.