SCHEMBL16503532

SCHEMBL16503532

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 0.38
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.37
AOC3 Q16853 1/20 0.37
CYP26A1 O43174 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
SLC6A3 Q01959 3/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
UTS2R Q9UKP6 3/20 0.35
MMP9 P14780 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34

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
SCHEMBL3380886 0.87 HDAC1 (0.36) CCNCCDK8KMT2AKDM4ESMN1; SMN2
SCHEMBL13783862 0.87 HDAC1 (0.36) CCNCCDK8KMT2AKDM4ESMN1; SMN2
SCHEMBL16503524 0.86 POLB (0.35) KMT2AKDM4ESMN1; SMN2
SCHEMBL16900479 0.84 NPSR1 (0.39) KMT2AKDM4ESMN1; SMN2MEN1CYP26A1
SCHEMBL16503525 0.83 CYP26A1 (0.34) CYP26A1
SCHEMBL16900478 0.82 BACE1 (0.34) KMT2AKDM4EMEN1CYP2D6CYP2C19
SCHEMBL16503531 0.81 CA2 (0.31)
SCHEMBL16503519 0.78 BACE1 (0.32)
SCHEMBL16503521 0.77 POLB (0.33) KMT2AKDM4EMEN1
SCHEMBL3379481 0.76 ALOX5 (0.35) AOC3MTNR1AMTNR1BUTS2R

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
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
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 CCNC 768/4885CDK8 3481/4885KMT2A 3397/4885

“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.