SCHEMBL1663491

SCHEMBL1663491

CC(C)[Si](Oc1ccc(C(=O)O)c(NC(=O)C(C)(C)O)c1)(C(C)C)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 12/20 0.40
AKR1C2 P52895 12/20 0.40
KCNK2 O95069 1/20 0.39
KCNK10 P57789 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
PKM P14618 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GRIK1 P39086 1/20 0.37
KDM4E B2RXH2 2/20 0.36
RAB9A P51151 1/20 0.36
PDK1 Q15118 1/20 0.36
PDK2 Q15119 1/20 0.36
PDK3 Q15120 1/20 0.36
PDK4 Q16654 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
SCHEMBL1664302 0.88 KCNK2 (0.44) AKR1C3AKR1C2KCNK2KCNK10ALDH1A1
SCHEMBL1663199 0.86 AKR1C3 (0.37) AKR1C3AKR1C2KCNK2KCNK10ALDH1A1
SCHEMBL1665765 0.83 ALDH1A1 (0.47) AKR1C3AKR1C2KCNK2KCNK10ALDH1A1
SCHEMBL1663492 0.73 ALDH1A1 (0.46) ALDH1A1MEN1PKMKMT2AKDM4E
SCHEMBL1663328 0.72 PDK1 (0.39) ALDH1A1MEN1KMT2ANPSR1KDM4E
SCHEMBL1663014 0.72 AKR1C3 (0.60) AKR1C3AKR1C2KCNK2KCNK10MEN1
SCHEMBL1663903 0.71 CTSK (0.45) MEN1KMT2ARAB9A
SCHEMBL1663905 0.71 CTSK (0.45) MEN1KMT2ARAB9A
SCHEMBL21487757 0.70 KDM4E (0.42) AKR1C2ALDH1A1KDM4E
SCHEMBL29053386 0.70 ALDH1A1 (0.46) ALDH1A1MEN1PKMKMT2AKDM4E

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-2305652-A2 Trisubstituted quinazolinone derivatives as vanilloid antagonists Novartis AG (CH) 2011-04-06 EP disclosed
US-20090082365-A1 Trisubstituted Quinazolinone Derivatives as Vanilloid Antagonists NOVARTIS AG 2009-03-26 US disclosed
US-20090082365-A1 Trisubstituted Quinazolinone Derivatives as Vanilloid Antagonists NOVARTIS AG 2009-03-26 US disclosed
EP-1963283-A2 TRISUBSTITUTED QUINAZOLINONE DERIVATIVES AS VANILLOID ANTAGONISTS Novartis AG (CH) 2008-09-03 EP disclosed
WO-2007065662-A2 TRISUBSTITUTED QUINAZOLINONE DERIVATIVES AS VANILLOID ANTAGONISTS NOVARTIS AG (CH) 2007-06-14 WO 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-20090082365-A1 Trisubstituted Quinazolinone Derivatives as Vanilloid Antagonists TRPV1, TRPV3, TRPV5 AKR1C3 1372/4885AKR1C2 1685/4885KCNK2 234/4885

“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.