SCHEMBL16503515

SCHEMBL16503515

COC(=O)C(C)(C)[C@@H](O[Si](C)(C)C)c1ccc2ccccc2c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP26A1 O43174 4/20 0.47
▸ CYP1A2 P05177 2/20 0.47
▸ CYP3A4 P08684 2/20 0.47
▸ CYP2D6 P10635 2/20 0.47
▸ CYP2C9 P11712 2/20 0.47
▸ CYP2C19 P33261 2/20 0.47
▸ SLC6A3 Q01959 2/20 0.40
▸ MMP9 P14780 1/20 0.40
▸ GABBR2 O75899 1/20 0.40
▸ GABBR1 Q9UBS5 1/20 0.40
▸ UGT2B7 P16662 1/20 0.40
▸ MLKL Q8NB16 1/20 0.38
▸ MTNR1A P48039 1/20 0.38
▸ MTNR1B P49286 1/20 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
SCHEMBL6049430 0.83 KCNN4 (0.42) CYP26A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL13190171 0.78 CYP26A1 (0.37) CYP26A1
SCHEMBL13190170 0.76 CNR1 (0.37) CYP26A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4280477 0.75 GABBR2 (0.49) CYP26A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL16503511 0.74 CYP26A1 (0.37) CYP26A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4284732 0.71 CYP26A1 (0.64) CYP26A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL24176308 0.69 UGT2B7 (0.50) CYP1A2CYP3A4CYP2D6SLC6A3MMP9
SCHEMBL11076796 0.69 L3MBTL1 (0.39) CYP1A2CYP3A4CYP2D6
SCHEMBL16503513 0.69 AOC3 (0.39) CYP1A2CYP3A4CYP2D6SLC6A3MMP9
SCHEMBL16369994 0.67 KCNN4 (0.47) CYP26A1CYP1A2CYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2403842-B1 CHIRAL DISULFONIMIDES STUDIENGESELLSCHAFT KOHLE MBH (DE) 2016-06-29 — — EP disclosed
US-9079869-B2 Chiral disulfonimides STUDIENGESELLSCHAFT KOHLE MBH (DE) 2015-07-14 — — US disclosed
US-9079869-B2 Chiral disulfonimides STUDIENGESELLSCHAFT KOHLE MBH (DE) 2015-07-14 — — US disclosed
US-20110313150-A1 CHIRAL DISULFONIMIDES STUDIENGESELLSCHAFT KOHLE MBH (DE) 2011-12-22 — — US disclosed
US-20110313150-A1 CHIRAL DISULFONIMIDES STUDIENGESELLSCHAFT KOHLE MBH (DE) 2011-12-22 — — 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-20110313150-A1 CHIRAL DISULFONIMIDES STS, SUDS3, SF1 CYP26A1 634/4885CYP1A2 1628/4885CYP3A4 873/4885

“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.

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