SCHEMBL13659935

SCHEMBL13659935

CC(=O)c1ccc(CCc2c[nH]c3nc(N)[nH]c(=O)c23)cc1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TYMS P04818 19/20 0.63
DHFR P00374 2/20 0.63
FOLR2 P14207 1/20 0.63
FOLR1 P15328 1/20 0.63
GART P22102 1/20 0.63
ATIC P31939 1/20 0.63
SHMT1 P34896 1/20 0.63
SLC19A1 P41440 1/20 0.63
FRK P42685 1/20 0.63
SLC46A1 Q96NT5 1/20 0.63

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
SCHEMBL2260428 0.89 TYMS (0.69) TYMSDHFRFOLR2FOLR1GART
SCHEMBL18551642 0.89 TYMS (0.64) TYMSDHFRFOLR2FOLR1GART
SCHEMBL25476851 0.89 TYMS (0.64) TYMSDHFRFOLR2FOLR1GART
SCHEMBL8855177 0.89 TYMS (0.61) TYMSDHFRFOLR2FOLR1GART
SCHEMBL13524779 0.89 TYMS (0.67) TYMSDHFRFOLR2FOLR1GART
SCHEMBL2260030 0.88 TYMS (0.67) TYMSDHFRFOLR2FOLR1GART
SCHEMBL2260032 0.87 TYMS (0.68) TYMSDHFRFOLR2FOLR1GART
SCHEMBL14612488 0.86 TYMS (0.67) TYMSDHFRFOLR2FOLR1GART
SCHEMBL12238856 0.85 TYMS (0.57) TYMSDHFRFOLR2FOLR1GART
SCHEMBL16569503 0.83 TYMS (0.58) TYMSDHFRFOLR2FOLR1GART

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9814777-B2 Targeting lipids ARBUTUS BIOPHARMA CORPORATION (CA) 2017-11-14 US disclosed
US-9814777-B2 Targeting lipids ARBUTUS BIOPHARMA CORPORATION (CA) 2017-11-14 US disclosed
EP-3156077-A1 TARGETING LIPIDS Arbutus Biopharma Corporation (CA) 2017-04-19 EP disclosed
EP-2231195-B1 TARGETING LIPIDS ARBUTUS BIOPHARMA CORP (CA) 2017-03-29 EP disclosed
US-20160375137-A9 TARGETING LIPIDS TEKMIRA PHARMACEUTICALS CORPORATION (CA) 2016-12-29 US disclosed
US-20160214987-A1 METHOD FOR PREPARING AN INTERMEDIATE FOR PRODUCING HIGH-PURITY PEMETREXED AND METHOD FOR PRODUCING HIGH-PURITY PEMETREXED USING THE INTERMEDIATE SAMYANG BIOPHARMACEUTICALS CORPORATION (KR) 2016-07-28 US disclosed
EP-1957497-B1 PROCESSES FOR PREPARING INTERMEDIATES OF PEMETREXED SICOR INC (US) 2015-09-30 EP disclosed
US-20150259348-A1 PROCESS FOR PREPARING PEMETREXED DI POTASSIUM AND ITS HYDRATES SHILPA MEDICARE LIMITED (IN) 2015-09-17 US disclosed
US-20140179761-A1 TARGETING LIPIDS TEKMIRA PHARMACEUTICALS CORPORATION (CA) 2014-06-26 US disclosed
US-20140179761-A1 TARGETING LIPIDS TEKMIRA PHARMACEUTICALS CORPORATION (CA) 2014-06-26 US disclosed
US-8680319-B2 Method for producing antifolate agents having glutamic acid part in their structure KOCAK FARMA ILAC VE KIMYA SAN. A.S (TR) 2014-03-25 US disclosed
US-20130253192-A1 Method for producing antifolate agents having glutamic acid part in their structure KOCAK FARMA ILAC VE KIMYA SAN. A.S (TR) 2013-09-26 US disclosed
US-20090247608-A1 Targeting Lipids ALNYLAM PHARMACEUTICALS, INC. (US) 2009-10-01 US disclosed
WO-2009082607-A2 TARGETING LIPIDS ALNYLAM PHARMACEUTICALS, INC. (US) 2009-07-02 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 (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-20090247608-A1 Targeting Lipids LY96, ABHD10, APOB TYMS 2326/4885DHFR 1267/4885FOLR2 651/4885
US-20160214987-A1 METHOD FOR PREPARING AN INTERMEDIATE FOR PRODUCING HIGH-PURITY PEMETREXED AND METHOD FOR PRODUCING HIGH-PURITY PEMETREXED USING THE INTERMEDIATE SAMHD1, IMPDH1, DCTD TYMS 13/4885DHFR 15/4885FOLR2 105/4885
US-20130253192-A1 Method for producing antifolate agents having glutamic acid part in their structure GLUL, DHFR, FOLH1 TYMS 286/4885DHFR 2/4885FOLR2 16/4885
US-20140179761-A1 TARGETING LIPIDS LY96, ABHD10, APOB TYMS 2270/4885DHFR 1253/4885FOLR2 647/4885
US-20150259348-A1 PROCESS FOR PREPARING PEMETREXED DI POTASSIUM AND ITS HYDRATES DPYD, KCNK5, KCNJ11 TYMS 4/4885DHFR 62/4885FOLR2 255/4885
US-20160375137-A9 TARGETING LIPIDS LY96, ABHD10, APOB TYMS 2270/4885DHFR 1253/4885FOLR2 647/4885

“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.