SCHEMBL15056397

SCHEMBL15056397

CN(Cc1nc2c(N)nc(N)nc2[nH]1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 7/20 0.68
FPGS Q05932 3/20 0.68
TYMS P04818 2/20 0.68
KDM4E B2RXH2 1/20 0.68
TLR4 O00206 1/20 0.68
MEN1 O00255 1/20 0.68
ALDH1A1 P00352 1/20 0.68
LMNA P02545 1/20 0.68
TP53 P04637 1/20 0.68
GLA P06280 1/20 0.68
POLB P06746 1/20 0.68
HMGB1 P09429 1/20 0.68
MAPT P10636 1/20 0.68
FOLR2 P14207 1/20 0.68
FOLR1 P15328 1/20 0.68
HPGD P15428 1/20 0.68
ALOX15 P16050 1/20 0.68
ALOX12 P18054 1/20 0.68
GART P22102 1/20 0.68
APEX1 P27695 1/20 0.68

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
SCHEMBL15056395 1.00 DHFR (0.68) DHFRFPGSTYMSKDM4ETLR4
SCHEMBL30844014 0.90 DHFR (0.66) DHFRFPGSTYMSKDM4ETLR4
SCHEMBL29520518 0.90 DHFR (0.66) DHFRFPGSTYMSKDM4ETLR4
SCHEMBL30844015 0.90 DHFR (0.66) DHFRFPGSTYMSKDM4ETLR4
SCHEMBL9892511 0.82 DHFR (0.75) DHFRFPGSTYMSKDM4ETLR4
Methotrexate SCHEMBL3711 0.81 DHFR (1.00) DHFRFPGSTYMSKDM4ETLR4
Methotrexate SCHEMBL2301949 0.81 DHFR (1.00) DHFRFPGSTYMSKDM4ETLR4
Methotrexate SCHEMBL3712 0.81 DHFR (1.00) DHFRFPGSTYMSKDM4ETLR4
Methotrexate SCHEMBL20548444 0.81 DHFR (1.00) DHFRFPGSTYMSKDM4ETLR4
Methotrexate SCHEMBL8216266 0.81 DHFR (1.00) DHFRFPGSTYMSKDM4ETLR4

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
EP-2797417-B1 SELECTIVE INHIBITION OF PHOSPHOENOLPYRUVATE CARBOXYLASES OF C4 PLANTS HEINRICH HEINE UNIV DUESSELDORF (DE) 2019-07-31 EP disclosed
US-20150216167-A1 SELECTIVE INHIBITION OF C4-PEP CARBOXYLASES HEINRICH HEINE UNIVERSITAT DUSSELDORF (DE) 2015-08-06 US disclosed
EP-2797417-A1 SELECTIVE INHIBITION OF PHOSPHOENOLPYRUVATE CARBOXYLASES OF C4 PLANTS Heinrich-Heine-Universität Düsseldorf (DE) 2014-11-05 EP disclosed
WO-2013093007-A1 SELECTIVE INHIBITION OF PHOSPHOENOLPYRUVATE CARBOXYLASES OF C4 PLANTS HEINRICH HEINE UNIVERSITÄT DÜSSELDORF (DE) 2013-06-27 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-20150216167-A1 SELECTIVE INHIBITION OF C4-PEP CARBOXYLASES CBR3, GRHPR, PCK1 DHFR 703/4885FPGS 1805/4885TYMS 2262/4885

“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.