SCHEMBL13300970

SCHEMBL13300970

CC(=O)CC[C@H](NC(=O)c1ccc(NCC2CNc3[nH]c(N)nc(=O)c3N2C=O)cc1)C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 2/20 0.70
LMNA P02545 1/20 0.61
MTHFD1 P11586 3/20 0.53
SOST Q9BQB4 1/20 0.51
FPGS Q05932 2/20 0.50
MTHFD2 P13995 3/20 0.45
ATIC P31939 3/20 0.44
TYMS P04818 3/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
AKR1B1 P15121 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
PTGS2 P35354 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL13477849 1.00 DHFR (0.70) DHFRLMNAMTHFD1SOSTFPGS
Leucovorin SCHEMBL4708750 0.94 DHFR (0.80) DHFRLMNAMTHFD1SOSTFPGS
Leucovorin SCHEMBL8349 0.94 DHFR (0.80) DHFRLMNAMTHFD1SOSTFPGS
Levoleucovorin SCHEMBL571901 0.94 DHFR (0.80) DHFRLMNAMTHFD1SOSTFPGS
Folinic Acid SCHEMBL29369091 0.94 DHFR (0.80) DHFRLMNAMTHFD1SOSTFPGS
Leucovorin SCHEMBL8350 0.94 DHFR (0.80) DHFRLMNAMTHFD1SOSTFPGS
Leucovorin SCHEMBL571902 0.94 DHFR (0.80) DHFRLMNAMTHFD1SOSTFPGS
Leucovorin SCHEMBL5132046 0.94 DHFR (0.80) DHFRLMNAMTHFD1SOSTFPGS
Leucovorin SCHEMBL21632556 0.94 DHFR (0.80) DHFRLMNAMTHFD1SOSTFPGS
Leucovorin SCHEMBL9054117 0.93 DHFR (0.78) DHFRLMNAMTHFD1SOSTFPGS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100143340-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER SCHERING CORPORATION 2010-06-10 US disclosed
US-20080090242-A1 PANEL OF BIOMARKERS FOR PREDICTION OF FTI EFFICACY SCHERING CORPORATION 2008-04-17 US 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-20100143340-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER TP53, KLK3, CD44 DHFR 208/4885LMNA 1836/4885MTHFD1 1100/4885

“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.