SCHEMBL422934

SCHEMBL422934

CCC(CSC1CCC1SCC(CC(=O)CCOCCC(C)=O)C(=O)NCCOCCOC(=O)[C@@H](CCC(=O)O)NC(=O)c1ccc(CCc2c[nH]c3nc(N)[nH]c(=O)c23)cc1)C(=O)NCCOCCOC(=O)[C@@H](CCC(=O)O)NC(=O)c1ccc(CCc2c[nH]c3nc(N)[nH]c(=O)c23)cc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TYMS P04818 6/20 0.53
DHFR P00374 5/20 0.53
FOLR1 P15328 5/20 0.53
SLC19A1 P41440 5/20 0.53
SLC46A1 Q96NT5 5/20 0.53
GART P22102 5/20 0.53
ATIC P31939 4/20 0.53
FOLR2 P14207 1/20 0.53
SHMT1 P34896 1/20 0.53
FRK P42685 1/20 0.53

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
SCHEMBL423094 0.93 TYMS (0.53) TYMSDHFRFOLR1SLC19A1SLC46A1
SCHEMBL21706291 0.83 TYMS (0.52) TYMSDHFRFOLR1SLC19A1SLC46A1
SCHEMBL11990700 0.81 TYMS (0.46) TYMSDHFRFOLR1SLC19A1SLC46A1
SCHEMBL423888 0.81 TYMS (0.46) TYMSDHFRFOLR1SLC19A1SLC46A1
SCHEMBL464402 0.80 GART (0.71) TYMSDHFRFOLR1SLC19A1SLC46A1
SCHEMBL15145419 0.80 GART (0.73) TYMSDHFRFOLR1SLC19A1SLC46A1
SCHEMBL21558193 0.80 GART (0.73) TYMSDHFRFOLR1SLC19A1SLC46A1
SCHEMBL11990575 0.78 TYMS (0.47) TYMSDHFRFOLR1SLC19A1SLC46A1
SCHEMBL422998 0.78 TYMS (0.42) TYMSDHFRFOLR1SLC19A1SLC46A1
SCHEMBL11990724 0.78 GART (0.70) TYMSDHFRFOLR1SLC19A1SLC46A1

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-20150005230-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CERULEAN PHARMA INC. (US) 2015-01-01 US disclosed
US-20140328918-A1 METHODS OF TREATING A SUBJECT AND RELATED PARTICLES, POLYMERS AND COMPOSITIONS CERULEAN PHARMA INC. (US) 2014-11-06 US disclosed
US-20140255374-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF AUTOIMMUNE AND OTHER DISEASE CERULEAN PHARMA INC. (US) 2014-09-11 US disclosed
US-20130196906-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CERULEAN PHARMA INC. (US) 2013-08-01 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 (6 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-20130196906-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CDR2, DDOST, GALC TYMS 655/4885DHFR 508/4885FOLR1 763/4885
US-20140255374-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF AUTOIMMUNE AND OTHER DISEASE PHOSPHO1, SGMS1, SGMS2 TYMS 545/4885DHFR 494/4885FOLR1 347/4885
US-20120064107-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF AUTOIMMUNE AND OTHER DISEASE PHOSPHO1, SGMS1, SGMS2 TYMS 545/4885DHFR 494/4885FOLR1 347/4885
US-20140328918-A1 METHODS OF TREATING A SUBJECT AND RELATED PARTICLES, POLYMERS AND COMPOSITIONS HLA-DRB1, TSG101, IAPP TYMS 2668/4885DHFR 1629/4885FOLR1 1271/4885
US-20120213854-A1 METHODS OF TREATING A SUBJECT AND RELATED PARTICLES, POLYMERS AND COMPOSITIONS HLA-DRB1, TSG101, IAPP TYMS 2668/4885DHFR 1629/4885FOLR1 1271/4885
US-20150005230-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CDR2, DDOST, GALC TYMS 655/4885DHFR 508/4885FOLR1 763/4885

“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.