SCHEMBL16503517

SCHEMBL16503517

CC(C)OC(=O)C[C@@H](O[Si](C)(C)C(C)(C)C)c1ccc2ccccc2c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
UGT2B7 P16662 1/20 0.38
CYP26A1 O43174 1/20 0.38
MMP9 P14780 1/20 0.36
AOC3 Q16853 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TSHR P16473 2/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
HIF1A Q16665 1/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
ATM Q13315 1/20 0.35

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
SCHEMBL12600132 0.86 OGA (0.36) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL16503522 0.85 TSHR (0.44) L3MBTL1TSHRMEN1KMT2AATM
SCHEMBL16503510 0.85 TSHR (0.44) L3MBTL1TSHRMEN1KMT2AATM
SCHEMBL16503514 0.79 SMN1; SMN2 (0.37) TDP1L3MBTL1TSHRMEN1KMT2A
SCHEMBL12600127 0.75 ROCK2 (0.42)
SCHEMBL3805543 0.75 AOC3 (0.39) UGT2B7AOC3TSHRSLC6A2SLC6A4
SCHEMBL16503532 0.74 CCNC (0.38) CYP26A1MMP9AOC3SLC6A2SLC6A4
SCHEMBL12600135 0.73 CYP2D6 (0.35) TSHRSLC6A2SLC6A4SLC6A3MEN1
SCHEMBL12600129 0.73 CYP2D6 (0.35) CYP26A1SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL12600131 0.73 KDM4E (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 UGT2B7 1096/4885CYP26A1 634/4885MMP9 3998/4885

“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.