SCHEMBL16509668

SCHEMBL16509668

C=C(C)CC(O[Si](C)(C)C)c1ccc2ccccc2c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ AOC3 Q16853 2/20 0.43
▸ UGT2B7 P16662 1/20 0.42
▸ SLC6A2 P23975 9/20 0.39
▸ SLC6A4 P31645 9/20 0.39
▸ SLC6A3 Q01959 9/20 0.39
▸ CYP2D6 P10635 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ MTNR1A P48039 1/20 0.38
▸ MTNR1B P49286 1/20 0.38
▸ KCNH2 Q12809 4/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ GLA P06280 1/20 0.36

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
SCHEMBL13189971 0.82 LMNA (0.40) SLC6A4CYP2D6MEN1KMT2ACYP1A2
SCHEMBL13189762 0.78 ALDH1A1 (0.46) AOC3CYP2D6MEN1KMT2ACYP1A2
SCHEMBL16503513 0.78 AOC3 (0.39) AOC3UGT2B7SLC6A2SLC6A4SLC6A3
SCHEMBL13189607 0.76 ALDH1A1 (0.36) —
SCHEMBL13189972 0.74 — —
SCHEMBL5313501 0.70 UGT2B7 (0.43) AOC3UGT2B7SLC6A2SLC6A4SLC6A3
SCHEMBL13189766 0.70 ALDH1A1 (0.44) SLC6A2SLC6A4MEN1KMT2ATSHR
SCHEMBL6435579 0.68 ALDH1A1 (0.38) MEN1KMT2A
SCHEMBL5270067 0.68 AOC3 (0.42) AOC3UGT2B7CYP2D6TSHRMTNR1A
SCHEMBL2610142 0.67 UGT2B7 (0.43) AOC3UGT2B7SLC6A2SLC6A4SLC6A3

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 3 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-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 AOC3 426/4885UGT2B7 1096/4885SLC6A2 908/4885

“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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