SCHEMBL4435973

SCHEMBL4435973

Cc1cc(C(=O)O)ccc1-c1cccnc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.62
SLC2A1 P11166 1/20 0.61
MKNK1 Q9BUB5 6/20 0.61
MKNK2 Q9HBH9 6/20 0.61
ADH5 P11766 2/20 0.54
ALDH1A1 P00352 1/20 0.51
APP P05067 1/20 0.51
GAA P10253 1/20 0.51
HCAR3 P49019 1/20 0.51
HCAR2 Q8TDS4 1/20 0.51
IP6K1 Q92551 1/20 0.49
IP6K3 Q96PC2 1/20 0.49
IP6K2 Q9UHH9 1/20 0.49
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.49
HTT P42858 1/20 0.49
AKR1C3 P42330 2/20 0.48
AKR1C2 P52895 2/20 0.48
CYP2E1 P05181 1/20 0.47
CYP3A4 P08684 1/20 0.47

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
SCHEMBL13002843 0.88 SLC2A1 (0.61) KMOSLC2A1MKNK1MKNK2ALDH1A1
SCHEMBL29707122 0.83 ESR2 (0.58) KMOADH5ALDH1A1GAAKDM4E
SCHEMBL121338 0.83 ESR2 (0.58) KMOADH5ALDH1A1GAAKDM4E
SCHEMBL28439295 0.83 KMO (0.64) KMOSLC2A1MKNK1MKNK2ALDH1A1
SCHEMBL3517388 0.83 KMO (0.64) KMOSLC2A1MKNK1MKNK2ALDH1A1
SCHEMBL31209946 0.83 KMO (0.64) KMOSLC2A1MKNK1MKNK2ALDH1A1
SCHEMBL4429178 0.82 ADH5 (0.62) SLC2A1ADH5ALDH1A1GAAIP6K1
SCHEMBL8637967 0.82 KMO (0.59) KMOSLC2A1MKNK1MKNK2ALDH1A1
Hydrochloric Acid SCHEMBL5753140 0.82 ESR2 (0.56) KMOADH5ALDH1A1GAAKDM4E
SCHEMBL31658246 0.82 AKR1C3 (0.61) KMOADH5ALDH1A1GAAKDM4E

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
US-7538121-B2 Vanilloid receptor modulators GLAXO GROUP LIMITED (GB) 2009-05-26 US disclosed
EP-2033953-A1 Vanilloid receptor modulators Glaxo Group Limited (GB) 2009-03-11 EP disclosed
US-20060142333-A1 Vanilloid receptor modulators MACDONALD GREGOR J 2006-06-29 US disclosed
EP-1480954-A1 VANILLOID RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2004-12-01 EP disclosed
WO-2003068749-A1 VANILLOID RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2003-08-21 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-20060142333-A1 Vanilloid receptor modulators TRPV1, NPSR1, TRPV3 KMO 2936/4885SLC2A1 1762/4885MKNK1 3869/4885

“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.