SCHEMBL5264863

SCHEMBL5264863

CCOC(=O)c1ccc(C(=O)O)nc1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.53
L3MBTL1 Q9Y468 1/20 0.51
TSHR P16473 2/20 0.50
CYP1A2 P05177 1/20 0.50
MDM2 Q00987 1/20 0.48
RAB9A P51151 4/20 0.48
NPC1 O15118 2/20 0.48
CASP3 P42574 1/20 0.48
ATM Q13315 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
ALDH1A1 P00352 5/20 0.48
HPGD P15428 3/20 0.48
NPSR1 Q6W5P4 2/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 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
SCHEMBL4192112 0.90 CYP1A2 (0.62) KDM4ETSHRCYP1A2MDM2RAB9A
SCHEMBL5489657 0.87 CYP1A2 (0.59) KDM4EL3MBTL1TSHRCYP1A2RAB9A
SCHEMBL5664007 0.81 KDM4E (0.57) KDM4EL3MBTL1TSHRCYP1A2MDM2
SCHEMBL23530075 0.80 GABRP (0.62) KDM4EL3MBTL1TSHRCYP1A2RAB9A
SCHEMBL1017506 0.79 KDM4E (0.55) KDM4ETSHRCYP1A2MDM2RAB9A
SCHEMBL2355409 0.78 KDM4E (0.54) KDM4ETSHRCYP1A2MDM2RAB9A
SCHEMBL609984 0.78 KDM4E (0.54) KDM4ETSHRCYP1A2MDM2RAB9A
SCHEMBL15211304 0.78 KDM4E (0.54) KDM4EL3MBTL1TSHRCYP1A2MDM2
SCHEMBL14686577 0.78 GABRP (0.61) KDM4ETSHRCYP1A2MDM2RAB9A
Hydrochloric Acid SCHEMBL30639526 0.78 KDM4E (0.54) KDM4ETSHRCYP1A2MDM2RAB9A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150031668-A1 CHROMAN DERIVATIVES AS TRPM8 INHIBITORS AMGEN INC (US) 2015-01-29 US disclosed
US-20150031668-A1 CHROMAN DERIVATIVES AS TRPM8 INHIBITORS AMGEN INC (US) 2015-01-29 US disclosed
US-20090137558-A1 Pyridine based compounds useful as intermediates for pharmaceutical or agricultural end-products PEAKDALE MOLECULAR LIMITED (GB) 2009-05-28 US disclosed
US-20090137558-A1 Pyridine based compounds useful as intermediates for pharmaceutical or agricultural end-products PEAKDALE MOLECULAR LIMITED (GB) 2009-05-28 US disclosed
EP-1824828-A2 PYRIDINE BASED COMPOUNDS USEFUL AS INTERMEDIATES FOR PHARMACEUTICAL OR AGRICULTURAL END-PRODUCTS Peakdale Molecular Limited (GB) 2007-08-29 EP disclosed
WO-2006059103-A2 PYRIDINE BASED COMPOUNDS USEFUL AS INTERMEDIATES FOR PHARMACEUTICAL OR AGRICULTURAL END-PRODUCTS PEAKDALE MOLECULAR LIMITED (GB) 2006-06-08 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 (2 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-20150031668-A1 CHROMAN DERIVATIVES AS TRPM8 INHIBITORS TRPM8, TRPM5, TRPM7 KDM4E 2769/4885L3MBTL1 4745/4885TSHR 2871/4885
US-20090137558-A1 Pyridine based compounds useful as intermediates for pharmaceutical or agricultural end-products PNPO, CYP4B1, PDXK KDM4E 376/4885L3MBTL1 4745/4885TSHR 4005/4885

“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.