SCHEMBL4123581

SCHEMBL4123581

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

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.44
TSHR P16473 1/20 0.44
ALDH1A1 P00352 3/20 0.43
LMNA P02545 4/20 0.42
MAPT P10636 2/20 0.42
GAA P10253 1/20 0.42
POLB P06746 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
BDKRB1 P46663 2/20 0.39

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
SCHEMBL4111436 0.93 BDKRB1 (0.41) NPSR1TSHRALDH1A1MEN1KMT2A
SCHEMBL5132291 0.89 NPSR1 (0.43) NPSR1TSHRALDH1A1LMNAMAPT
SCHEMBL5132127 0.86 EPHX2 (0.46) NPSR1TSHRALDH1A1LMNAMAPT
SCHEMBL4117203 0.84 TSHR (0.43) NPSR1TSHRALDH1A1LMNAMAPT
SCHEMBL4124553 0.83 BDKRB1 (0.40) NPSR1TSHRALDH1A1MEN1KMT2A
SCHEMBL4119445 0.83 EPHX2 (0.49) MEN1KMT2A
SCHEMBL5125343 0.83 BDKRB1 (0.39) NPSR1TSHRALDH1A1MEN1KMT2A
SCHEMBL2833249 0.81 TSHR (0.46) NPSR1TSHRALDH1A1LMNAMAPT
SCHEMBL5122612 0.80 BDKRB1 (0.45) BDKRB1
SCHEMBL5128634 0.80 EPHX2 (0.42) MEN1KMT2A

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-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-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 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-20080306084-A1 Substituted Amide Compounds OPRK1, NAA50, ACMSD NPSR1 371/4885TSHR 4051/4885ALDH1A1 1349/4885
US-20090253669-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 NPSR1 394/4885TSHR 3282/4885ALDH1A1 863/4885

“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.