SCHEMBL1663014

SCHEMBL1663014

COc1ccc(C(=O)O)c(NC(=O)C(C)(C)C)c1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 15/20 0.60
AKR1C2 P52895 15/20 0.60
KCNK2 O95069 1/20 0.56
KCNK10 P57789 1/20 0.56
KDM4E B2RXH2 1/20 0.55
MEN1 O00255 1/20 0.52
PKM P14618 1/20 0.52
KMT2A Q03164 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52

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
SCHEMBL26090331 0.88 KDM4E (0.71) AKR1C3AKR1C2KCNK2KCNK10KDM4E
SCHEMBL6361641 0.83 AKR1C3 (0.65) AKR1C3AKR1C2KCNK2KCNK10MEN1
SCHEMBL4013508 0.81 GAA (0.56) KDM4EMEN1PKMKMT2ANPSR1
SCHEMBL17084899 0.81 TRIM24 (0.51) KDM4EMEN1KMT2ANPSR1
SCHEMBL30981444 0.81 TRIM24 (0.51) KDM4EMEN1KMT2ANPSR1
SCHEMBL5226002 0.80 TDP1 (0.54) KDM4EMEN1KMT2ANPSR1
SCHEMBL30076369 0.80 ALDH1A1 (0.47) AKR1C3AKR1C2KDM4EMEN1KMT2A
SCHEMBL1234368 0.80 ALDH1A1 (0.47) AKR1C3AKR1C2KDM4EMEN1KMT2A
SCHEMBL30665941 0.79 AKR1C3 (0.69) AKR1C3AKR1C2KCNK2KCNK10
SCHEMBL10955174 0.79 AKR1C3 (0.69) AKR1C3AKR1C2KCNK2KCNK10

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 8 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
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
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
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.