SCHEMBL1663385

SCHEMBL1663385

COc1cccc(NC(=O)C(C)C)c1C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.59
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
CA7 P43166 1/20 0.59
CA9 Q16790 1/20 0.59
CA14 Q9ULX7 1/20 0.59
FABP4 P15090 1/20 0.50
PLK1 P53350 1/20 0.50
MDM4 O15151 1/20 0.49
TP53 P04637 1/20 0.49
LPAR1 Q92633 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
CETP P11597 1/20 0.46
NPC1 O15118 2/20 0.46
TSHR P16473 2/20 0.46
POLB P06746 1/20 0.46
RAB9A P51151 1/20 0.46
MAPT P10636 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
PPARA Q07869 1/20 0.46

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
SCHEMBL13596172 0.82 POLB (0.62) MDM4TP53LPAR1CETPNPC1
SCHEMBL321836 0.79 CA12 (0.69) CA12CA1CA2CA7CA9
SCHEMBL8806924 0.79 CA12 (0.59) CA12CA1CA2CA7CA9
SCHEMBL8893471 0.78 KDM4E (0.50) CA12CA1CA2CA7CA9
SCHEMBL24963554 0.77 KMT2A (0.51) CA12CA1CA2CA7CA9
SCHEMBL3986627 0.77 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL8242892 0.77 CA12 (0.56) CA12CA1CA2CA7CA9
2,6-Dimethoxybenzoic Acid SCHEMBL149926 0.76 CA12 (1.00) CA12CA1CA2CA7CA9
SCHEMBL17653145 0.75 AAK1 (0.54) TP53MAPT
SCHEMBL31187378 0.75 CA12 (0.62) CA12CA1CA2CA7CA9

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 7 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
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 CA12 4672/4885CA1 3862/4885CA2 828/4885

“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.