SCHEMBL31407962

SCHEMBL31407962

CC(C)(C)OC(=O)NS(=O)(=O)C1(CCCOCc2ccccc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA7 P43166 1/20 0.48
CA14 Q9ULX7 1/20 0.48
L3MBTL1 Q9Y468 5/20 0.45
PPARA Q07869 2/20 0.45
PPARG P37231 1/20 0.41
CTSS P25774 1/20 0.41
STS P08842 1/20 0.39
SYK P43405 1/20 0.38
EPHX2 P34913 1/20 0.38
KMT2A Q03164 1/20 0.38
MMP1 P03956 1/20 0.37
MMP3 P08254 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
IDO1 P14902 1/20 0.37
KLK7 P49862 1/20 0.37
KLK5 Q9Y337 1/20 0.37
NAAA Q02083 1/20 0.37

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
SCHEMBL8011499 0.86 CA12 (0.52) CA12CA1CA7CA14L3MBTL1
SCHEMBL25233437 0.85 EPHX2 (0.43) CA12CA1L3MBTL1EPHX2NAAA
SCHEMBL25347291 0.79 CA12 (0.46) CA12CA1CA7CA14L3MBTL1
SCHEMBL8355058 0.78 HTT (0.40) CA12CA1EPHX2
SCHEMBL313082 0.77 CA12 (0.54) CA12CA1CA7CA14L3MBTL1
SCHEMBL25736270 0.77 L3MBTL1 (0.46) CA12CA1CA7CA14L3MBTL1
SCHEMBL12095369 0.76 EPHX2 (0.41) CA1L3MBTL1EPHX2KMT2A
SCHEMBL10099084 0.75 CA12 (0.46) CA12CA1CA7CA14CTSS
SCHEMBL8290203 0.75 CA12 (0.46) CA12CA1CA7CA14L3MBTL1
SCHEMBL6124818 0.75 CACNA1B (0.41) CA12CA1CA7CA14L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250059220-A1 SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME LLC (US) 2025-02-20 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-20250059220-A1 SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AND METHODS OF USE THEREOF SULT1E1, TPMT, SULT1A1 CA12 3290/4885CA1 4104/4885CA7 776/4885

“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.