SCHEMBL1236538

SCHEMBL1236538

COC(=O)CC[C@H](NC(=O)c1ccc(CCc2c[nH]c3[nH]c(N)nc(=O)c23)cc1)C(=O)OC

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TYMS P04818 7/20 0.56
▸ DHFR P00374 7/20 0.56
▸ GART P22102 7/20 0.56
▸ ATIC P31939 2/20 0.56
▸ FOLR2 P14207 2/20 0.56
▸ FOLR1 P15328 2/20 0.56
▸ SLC46A1 Q96NT5 2/20 0.56
▸ SHMT1 P34896 1/20 0.56
▸ SLC19A1 P41440 1/20 0.56
▸ FRK P42685 1/20 0.56

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
SCHEMBL19623246 1.00 TYMS (0.56) TYMSDHFRGARTATICFOLR2
SCHEMBL23544600 0.93 GART (0.65) TYMSDHFRGARTATICFOLR2
SCHEMBL19623252 0.93 GART (0.65) TYMSDHFRGARTATICFOLR2
SCHEMBL1237946 0.91 TYMS (0.49) TYMSDHFRGARTATICFOLR2
SCHEMBL2285818 0.91 TYMS (0.49) TYMSDHFRGARTATICFOLR2
SCHEMBL371409 0.90 DHFR (0.57) TYMSDHFRGARTATICFOLR2
SCHEMBL27835031 0.90 DHFR (0.57) TYMSDHFRGARTATICFOLR2
SCHEMBL8855175 0.88 TYMS (0.73) TYMSDHFRGARTATICFOLR2
SCHEMBL8855178 0.88 TYMS (0.73) TYMSDHFRGARTATICFOLR2
SCHEMBL28544653 0.86 TYMS (0.55) TYMSDHFRGARTATICFOLR2

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-20130165654-A1 PROCESSES FOR PREPARING PEMETREXED DR. REDDY'S LABORATORIES, INC. (US) 2013-06-27 — — US claimed
EP-2464650-A2 PROCESSES FOR PREPARING PEMETREXED Dr. Reddy's Laboratories, Ltd. (IN) 2012-06-20 — — EP claimed
WO-2011019986-A2 PROCESSES FOR PREPARING PEMETREXED DR. REDDY'S LABORATORIES LTD. (IN) 2011-02-17 — — WO claimed
US-20150259348-A1 PROCESS FOR PREPARING PEMETREXED DI POTASSIUM AND ITS HYDRATES SHILPA MEDICARE LIMITED (IN) 2015-09-17 — — US disclosed
EP-2909208-A1 PROCESS FOR PREPARING PEMETREXED DI POTASSIUM AND ITS HYDRATES Shilpa Medicare Limited (IN) 2015-08-26 — — EP disclosed
WO-2014060959-A1 CRYSTALLINE PEMETREXED DIPOTASSIUM PROCESS SHILPA MEDICARE LIMITED (IN) 2014-04-24 — — WO disclosed
WO-2014060953-A1 PROCESS FOR PREPARING PEMETREXED DI POTASSIUM AND ITS HYDRATES SHILPA MEDICARE LIMITED (IN) 2014-04-24 — — WO disclosed
EP-2675808-A2 PROCESS FOR PEMETREXED DISODIUM Hetero Research Foundation (IN) 2013-12-25 — — EP disclosed
EP-2675808-A2 PROCESS FOR PEMETREXED DISODIUM Hetero Research Foundation (IN) 2013-12-25 — — EP disclosed
US-20130165654-A1 PROCESSES FOR PREPARING PEMETREXED DR. REDDY'S LABORATORIES, INC. (US) 2013-06-27 — — US disclosed
WO-2012111027-A2 PROCESS FOR PEMETREXED DISODIUM HETERO RESEARCH FOUNDATION (IN) 2012-08-23 — — WO disclosed
WO-2012111027-A2 PROCESS FOR PEMETREXED DISODIUM HETERO RESEARCH FOUNDATION (IN) 2012-08-23 — — WO disclosed
EP-2464650-A2 PROCESSES FOR PREPARING PEMETREXED Dr. Reddy's Laboratories, Ltd. (IN) 2012-06-20 — — EP disclosed
WO-2011019986-A2 PROCESSES FOR PREPARING PEMETREXED DR. REDDY'S LABORATORIES LTD. (IN) 2011-02-17 — — 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 (2 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-20150259348-A1 PROCESS FOR PREPARING PEMETREXED DI POTASSIUM AND ITS HYDRATES DPYD, KCNK5, KCNJ11 TYMS 4/4885DHFR 62/4885GART 379/4885
US-20130165654-A1 PROCESSES FOR PREPARING PEMETREXED TYMP, TYMS, DPYD TYMS 2/4885DHFR 10/4885GART 144/4885

“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.

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