SCHEMBL464402

SCHEMBL464402

CCNCCOCCOC(=O)[C@H](CCC(=O)O)NC(=O)c1ccc(CCc2c[nH]c3nc(N)[nH]c(=O)c23)cc1

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GART P22102 9/20 0.71
FOLR1 P15328 7/20 0.71
SLC46A1 Q96NT5 7/20 0.71
TYMS P04818 6/20 0.71
SLC19A1 P41440 6/20 0.71
DHFR P00374 4/20 0.71
FOLR2 P14207 3/20 0.71
ATIC P31939 2/20 0.71
SHMT1 P34896 1/20 0.71
FRK P42685 1/20 0.71

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
SCHEMBL15145419 0.93 GART (0.73) GARTFOLR1SLC46A1TYMSSLC19A1
SCHEMBL21558193 0.93 GART (0.73) GARTFOLR1SLC46A1TYMSSLC19A1
SCHEMBL11990724 0.92 GART (0.70) GARTFOLR1SLC46A1TYMSSLC19A1
SCHEMBL464379 0.91 GART (0.70) GARTFOLR1SLC46A1TYMSSLC19A1
SCHEMBL21706293 0.90 GART (0.68) GARTFOLR1SLC46A1TYMSSLC19A1
SCHEMBL22326828 0.88 GART (0.77) GARTFOLR1SLC46A1TYMSSLC19A1
SCHEMBL15078861 0.87 GART (0.84) GARTFOLR1SLC46A1TYMSSLC19A1
SCHEMBL24142133 0.84 GART (0.79) GARTFOLR1SLC46A1TYMSSLC19A1
SCHEMBL1302278 0.84 TYMS (0.79) GARTFOLR1SLC46A1TYMSSLC19A1
SCHEMBL1302274 0.84 TYMS (0.79) GARTFOLR1SLC46A1TYMSSLC19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130059816-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF AUTOIMMUNE AND OTHER DISEASE CERULEAN PHARMA INC. (US) 2013-03-07 US disclosed
US-20120213854-A1 METHODS OF TREATING A SUBJECT AND RELATED PARTICLES, POLYMERS AND COMPOSITIONS CERULEAN PHARMA INC. 2012-08-23 US disclosed
US-20120064107-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF AUTOIMMUNE AND OTHER DISEASE CERULEAN PHARMA INC. (US) 2012-03-15 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 (3 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-20120064107-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF AUTOIMMUNE AND OTHER DISEASE PHOSPHO1, SGMS1, SGMS2 GART 2325/4885FOLR1 347/4885SLC46A1 612/4885
US-20130059816-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF AUTOIMMUNE AND OTHER DISEASE PHOSPHO1, SGMS1, SGMS2 GART 2325/4885FOLR1 347/4885SLC46A1 612/4885
US-20120213854-A1 METHODS OF TREATING A SUBJECT AND RELATED PARTICLES, POLYMERS AND COMPOSITIONS HLA-DRB1, TSG101, IAPP GART 4798/4885FOLR1 1271/4885SLC46A1 1027/4885

“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.