SCHEMBL2268178

SCHEMBL2268178

CC(N)OC(=O)c1cc(O)ccc1O

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 9/20 0.75
CA1 P00915 9/20 0.75
CA2 P00918 9/20 0.75
CA7 P43166 9/20 0.75
CA9 Q16790 9/20 0.75
CA14 Q9ULX7 9/20 0.75
ALOX5 P09917 2/20 0.48
PTGS2 P35354 2/20 0.48
PDK2 Q15119 1/20 0.43
PDK4 Q16654 1/20 0.43
EGFR P00533 2/20 0.41
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL31498357 0.86 CA12 (1.00) CA12CA1CA2CA7CA9
SCHEMBL40169 0.86 CA12 (1.00) CA12CA1CA2CA7CA9
SCHEMBL24991266 0.81 CA12 (0.73) CA12CA1CA2CA7CA9
SCHEMBL7092474 0.81 CA12 (0.73) CA12CA1CA2CA7CA9
SCHEMBL39467 0.80 CA12 (0.71) CA12CA1CA2CA7CA9
SCHEMBL6518821 0.80 CA12 (0.60) CA12CA1CA2CA7CA9
SCHEMBL5195832 0.79 LMNA (0.58) CA12CA1CA2CA7CA9
SCHEMBL23484284 0.78 CA12 (0.67) CA12CA1CA2CA7CA9
Methyl 2,5-Dihydroxybenzoate SCHEMBL38890 0.76 CA12 (1.00) CA12CA1CA2CA7CA9
Methyl 2,5-Dihydroxybenzoate SCHEMBL29457577 0.76 CA12 (1.00) CA12CA1CA2CA7CA9

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 58 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9968608-B2 Pharmaceutical compositions comprising pemetrexed and tromethamine FRESENIUS KABI ONCOLOGY LIMITED (IN) 2018-05-15 US claimed
US-20160310495-A1 PHARMACEUTICAL COMPOSITIONS OF PEMETREXED FRESENIUS KABI ONCOLOGY LIMITED (IN) 2016-10-27 US claimed
US-9421207-B2 Pharmaceutical compositions comprising pemetrexed and tromethamine FRESENIUS KABI ONCOLOGY LIMITED (IN) 2016-08-23 US claimed
US-20150111905-A1 PHARMACEUTICAL COMPOSITIONS OF PEMETREXED FRESENIUS KABI ONCOLOGY LIMITED (IN) 2015-04-23 US claimed
EP-2854768-A1 PHARMACEUTICAL COMPOSITIONS OF PEMETREXED Fresenius Kabi Oncology Limited (IN) 2015-04-08 EP claimed
WO-2013179248-A1 PHARMACEUTICAL COMPOSITIONS OF PEMETREXED FRESENIUS KABI ONCOLOGY LTD. (IN) 2013-12-05 WO claimed
EP-2854768-B2 PHARMACEUTICAL COMPOSITIONS OF PEMETREXED FRESENIUS KABI ONCOLOGY LTD (IN) 2025-06-18 EP disclosed
US-12115164-B2 Pemetrexed formulations EAGLE PHARMACEUTICALS, INC. (US) 2024-10-15 US disclosed
US-20240009199-A1 PEMETREXED FORMULATIONS EAGLE PHARMACEUTICALS, INC. 2024-01-11 US disclosed
US-20240009198-A1 PEMETREXED FORMULATIONS EAGLE PHARMACEUTICALS, INC. 2024-01-11 US disclosed
US-20230414623-A1 PEMETREXED FORMULATIONS EAGLE PHARMACEUTICALS, INC. 2023-12-28 US disclosed
US-20230390295-A1 PEMETREXED FORMULATIONS EAGLE PHARMACEUTICALS, INC. 2023-12-07 US disclosed
EP-3743072-B1 PHARMACEUTICAL COMPOSITION FOR SUSTAINED RELEASE DELIVERY OF BUPRENORPHINE FORESEE PHARMACEUTICALS CO LTD (TW) 2023-10-25 EP disclosed
WO-2010030598-A2 PHARMACEUTICAL FORMULATIONS COMPRISING PEMETREXED DR. REDDY'S LABORATORIES LIMITED (IN) 2010-03-18 WO disclosed
CN-101081301-A Medicinal composition containing pemetrexed HAINAN TIANYUANKANGZE PHARMACE (CN) 2007-12-05 CN disclosed
EP-1265612-B1 PHARMACEUTICAL COMPOSITION COMPRISING PEMETREXED TOGETHER WITH MONOTHIOGLYCEROL, L-CYSTEIN OR THIOGLYCOLIC ACID LILLY CO ELI (US) 2004-05-26 EP disclosed
US-6686365-B2 Pharmaceutical composition ELI LILLY AND COMPANY 2004-02-03 US disclosed
CN-1396828-A Pharmaceutical composition comprising Pemetrexed together with monothioglycerol L-cystein or thioglycolic acid LILLY CO ELI (US) 2003-02-12 CN disclosed
EP-1265612-A1 PHARMACEUTICAL COMPOSITION COMPRISING PEMETREXED TOGETHER WITH MONOTHIOGLYCEROL, L-CYSTEIN OR THIOGLYCOLIC ACID ELI LILLY AND COMPANY (US) 2002-12-18 EP disclosed
WO-2001056575-A1 PHARMACEUTICAL COMPOSITION COMPRISING PEMETREXED TOGETHER WITH MONOTHIOGLYCEROL L-CYSTEIN OR THIOGLYCOLIC ACID ELI LILLY AND COMPANY (US) 2001-08-09 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 (7 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-20240009199-A1 PEMETREXED FORMULATIONS MTHFD1, TYMP, DHFR CA12 3869/4885CA1 4536/4885CA2 4307/4885
US-20240009198-A1 PEMETREXED FORMULATIONS MTHFD1, TYMP, DHFR CA12 3869/4885CA1 4536/4885CA2 4307/4885
US-20160310495-A1 PHARMACEUTICAL COMPOSITIONS OF PEMETREXED TYMP, TYMS, HPRT1 CA12 3578/4885CA1 4161/4885CA2 4034/4885
US-20150111905-A1 PHARMACEUTICAL COMPOSITIONS OF PEMETREXED TYMP, TYMS, HPRT1 CA12 3578/4885CA1 4161/4885CA2 4034/4885
US-20230414623-A1 PEMETREXED FORMULATIONS MTHFD1, TYMP, DHFR CA12 3869/4885CA1 4536/4885CA2 4307/4885
US-20230390295-A1 PEMETREXED FORMULATIONS MTHFD1, TYMP, DHFR CA12 3869/4885CA1 4536/4885CA2 4307/4885
US-12115164-B2 Pemetrexed formulations MTHFD1, TYMP, DHFR CA12 3869/4885CA1 4536/4885CA2 4307/4885

“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.