SCHEMBL371409

SCHEMBL371409

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

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ DHFR P00374 8/20 0.57
▸ TYMS P04818 6/20 0.57
▸ GART P22102 3/20 0.57
▸ ATIC P31939 2/20 0.57
▸ FOLR2 P14207 1/20 0.57
▸ FOLR1 P15328 1/20 0.57
▸ SHMT1 P34896 1/20 0.57
▸ SLC19A1 P41440 1/20 0.57
▸ FRK P42685 1/20 0.57
▸ SLC46A1 Q96NT5 1/20 0.57
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ L3MBTL1 Q9Y468 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
SCHEMBL27835031 1.00 DHFR (0.57) DHFRTYMSGARTATICFOLR2
SCHEMBL207059 0.92 TYMS (0.50) DHFRTYMSGARTATICFOLR2
SCHEMBL13003773 0.92 GART (0.51) DHFRTYMSGARTATICFOLR2
SCHEMBL12370806 0.91 DHFR (0.50) DHFRTYMSGARTATICFOLR2
SCHEMBL1236538 0.90 TYMS (0.56) DHFRTYMSGARTATICFOLR2
SCHEMBL19623246 0.90 TYMS (0.56) DHFRTYMSGARTATICFOLR2
SCHEMBL7844331 0.89 TYMS (0.72) DHFRTYMSGARTATICFOLR2
SCHEMBL15078818 0.89 TYMS (0.72) DHFRTYMSGARTATICFOLR2
SCHEMBL7844327 0.89 TYMS (0.72) DHFRTYMSGARTATICFOLR2
SCHEMBL2756063 0.88 DHFR (0.48) DHFRTYMSGARTATICFOLR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017168442-A1 NOVEL STABLE SALTS OF PEMETREXED SHAH DHARMESH MAHENDRABHAI (IN) 2017-10-05 — — WO claimed
WO-2017168442-A1 NOVEL STABLE SALTS OF PEMETREXED SHAH DHARMESH MAHENDRABHAI (IN) 2017-10-05 — — WO disclosed
US-9718829-B2 Crystalline forms of pemetrexed diacid and processes for the preparation thereof SICOR INC. (US) 2017-08-01 — — US disclosed
US-20170129900-A1 Crystalline Forms Of Pemetrexed Diacid And Processes For The Preparation Thereof ASSIA CHEMICAL INDUSTRIES LTD. (IL) 2017-05-11 — — US disclosed
US-9562050-B2 Crystalline forms of pemetrexed diacid and processes for the preparation thereof SICOR, INC. (US) 2017-02-07 — — US disclosed
US-9156841-B2 Crystalline forms of pemetrexed diacid and processes for the preparation thereof SICOR INC. (US) 2015-10-13 — — US disclosed
EP-2409978-B1 A novel process for the synthesis of pemetrexed disodium salt CHEMI SPA (IT) 2013-09-11 — — EP disclosed
EP-2409978-A2 A novel process for the synthesis of pemetrexed disodium salt Chemi SPA (IT) 2012-01-25 — — EP disclosed
US-8088919-B2 Crystalline forms of pemetrexed diacid and processes for the preparation thereof SICOR INC. (US) 2012-01-03 — — US disclosed
US-20080045711-A1 Crystalline forms of pemetrexed diacid and processes for the preparation thereof ASSIA CHEMICAL INDUSTRIES LTD. (IL) 2008-02-21 — — US disclosed
EP-0905128-B1 Processes and intermediates useful to make antifolates LILLY CO ELI (US) 2002-02-20 — — EP disclosed
US-20010011142-A1 Processes and intermediates useful to make antifolates KJELL DOUGLAS PATTON (US) 2001-08-02 — — US disclosed
US-6262262-B1 PRODUCING 4-(2-(2-AMINO-4,7-DIHYDRO-4-OXO-1H-PYRROLO(2, 3-D)PYRIMIDIN-5-YL)ETHYL)BENZOIC ACID DERIVATIVE BY REACTING HYDROXY-4-(4-CARBOMETHOXYPHENYL)BUTANESULFONIC ACID METAL SALT WITH TRIALKYLSILYL HALIDE; REACTING WITH ELI LILLY AND COMPANY 2001-07-17 — — US disclosed
EP-0905128-A1 Processes and intermediates useful to make antifolates ELI LILLY AND COMPANY (US) 1999-03-31 — — EP disclosed
US-5663339-A Process for preparing 5-substituted pyrrolo-[2,3-D] pyrimidines ELI LILLY AND COMPANY (US) 1997-09-02 — — US disclosed
US-5644058-A Process for preparing 5-substituted pyrrolo-[2,3-d]pyrimidines ELI LILLY AND COMPANY (US) 1997-07-01 — — US disclosed
US-5612482-A Process for preparing 5-substituted pyrrolo-[2,3-d]pyrimidines ELI LILLY AND COMPANY (US) 1997-03-18 — — US disclosed
US-5416211-A Process for preparing 5-substituted pyrrolo-[2,3-d]pyrimidines ELI LILLY AND COMPANY (US) 1995-05-16 — — US disclosed
EP-0589720-A2 Process for preparing 5-substituted pyrrolo-[2,3-d]pyrimidines ELI LILLY AND COMPANY (US) 1994-03-30 — — EP 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-20080045711-A1 Crystalline forms of pemetrexed diacid and processes for the preparation thereof DCTD, DPYD, TYMP DHFR 6/4885TYMS 9/4885GART 37/4885
US-20170129900-A1 Crystalline Forms Of Pemetrexed Diacid And Processes For The Preparation Thereof DCTD, DPYD, DHFR DHFR 3/4885TYMS 7/4885GART 34/4885
US-20010011142-A1 Processes and intermediates useful to make antifolates DPYD, DHFR, MPST DHFR 2/4885TYMS 10/4885GART 121/4885

“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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