SCHEMBL6208318

SCHEMBL6208318

O=C(O)c1c[nH]c(=O)c(O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.54
DAO P14920 8/20 0.52
ERCC1 P07992 3/20 0.52
ERCC4 Q92889 3/20 0.52
CA12 O43570 3/20 0.48
CA1 P00915 3/20 0.48
CA2 P00918 3/20 0.48
CA7 P43166 3/20 0.48
CA9 Q16790 3/20 0.48
CA14 Q9ULX7 3/20 0.48
KDM4E B2RXH2 3/20 0.48
MAPT P10636 2/20 0.48
CA4 P22748 2/20 0.48
CA6 P23280 2/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
CA3 P07451 1/20 0.48
SELL P14151 1/20 0.48
HPGD P15428 1/20 0.48

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
SCHEMBL6988092 0.78 DYRK1A (0.62) NOTUMKDM4EALDH1A1TP53HPGD
SCHEMBL15577508 0.77 ERCC1 (0.65) NOTUMDAOERCC1ERCC4CA12
SCHEMBL14333119 0.77 NOTUM (0.52) NOTUMERCC1ERCC4CA12CA1
SCHEMBL480033 0.77 NOTUM (0.63) NOTUMDAOKDM4EALDH1A1HPGD
SCHEMBL22114512 0.77 NOTUM (0.52) NOTUMDAOERCC1ERCC4CA12
SCHEMBL4037213 0.77 PKM (0.54) NOTUMCA12CA1CA2CA7
SCHEMBL2704343 0.77 NOTUM (0.52) NOTUMERCC1ERCC4CA12CA1
SCHEMBL4542707 0.77 NOTUM (0.52) NOTUMDAODYRK1A
SCHEMBL14333224 0.76 LMNA (0.55) DAOERCC1ERCC4CA12CA1
SCHEMBL15577661 0.75 KMO (0.56) ERCC1ERCC4CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8883773-B2 Cephem compound having pseudo-catechol group SHIONOGI & CO., LTD. (JP) 2014-11-11 US disclosed
US-20130079319-A1 CEPHEM COMPOUND HAVING PSEUDO-CATECHOL GROUP SHIONOGI & CO., LTD. (JP) 2013-03-28 US disclosed
EP-1546133-A2 N-SUBSTITUTE-2-OXODIHYDROPYRIDINE DERIVATIVES AS NPY ANTAGONISTS BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-06-29 EP disclosed
WO-2004031175-A2 N-SUBSTITUTED-2-OXODIHYDROPYRIDINE DERIVATIVES AS NPY ANTAGONISTS BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-04-15 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-20130079319-A1 CEPHEM COMPOUND HAVING PSEUDO-CATECHOL GROUP CENPE, CCNE2, CEP170 NOTUM 339/4885DAO 141/4885ERCC1 2874/4885

“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.