SCHEMBL2575465

SCHEMBL2575465

O=C(O)CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.64
CA1 P00915 4/20 0.64
MAPT P10636 1/20 0.57
FOLH1 Q04609 4/20 0.55
CA12 O43570 1/20 0.55
CA9 Q16790 1/20 0.55
NPC1 O15118 1/20 0.52
TP53 P04637 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
KDM4E B2RXH2 1/20 0.50
HPGD P15428 1/20 0.50
FNTA P49354 2/20 0.49
FNTB P49356 2/20 0.49
DHFR P00374 2/20 0.48

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
SCHEMBL8776950 1.00 CA2 (0.64) CA2CA1MAPTFOLH1CA12
SCHEMBL5438740 1.00 CA2 (0.64) CA2CA1MAPTFOLH1CA12
SCHEMBL28881894 0.99 CA2 (0.62) CA2CA1MAPTFOLH1CA12
SCHEMBL28881895 0.99 CA2 (0.62) CA2CA1MAPTFOLH1CA12
Water SCHEMBL4387175 0.99 CA2 (0.62) CA2CA1MAPTFOLH1CA12
Water SCHEMBL4387169 0.99 CA2 (0.62) CA2CA1MAPTFOLH1CA12
Water SCHEMBL4387164 0.99 CA2 (0.62) CA2CA1MAPTFOLH1CA12
SCHEMBL10977896 0.89 MAPT (0.54) CA2CA1MAPTFOLH1CA12
SCHEMBL27508575 0.89 CA2 (0.67) CA2CA1MAPTNPC1TP53
SCHEMBL5699610 0.89 CA2 (0.67) CA2CA1MAPTNPC1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115138353-B Carbon source coated monolithic catalyst and preparation method and application thereof 横店集团东磁股份有限公司 2024-07-19 CN claimed
CN-108147977-B Preparation method of N-p-aminobenzoyl-L-glutamic acid 江苏尚莱特医药化工材料有限公司 2020-09-25 CN claimed
CN-110668968-A Preparation method of p-aminobenzoyl glutamic acid 涉县津东经贸有限责任公司 2020-01-10 CN claimed
US-20070112216-A1 Method for producing chiral mercapto amino acids DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) 2007-05-17 US claimed
US-4505788-A FROM P-NITROBENZOYL GLUTAMIC ACID TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1985-03-19 US claimed
US-3941776-A RACEMIZATION OF AMINOLACTAM COMPOUNDS ALLIED CHEMICAL CORPORATION (US) 1976-03-02 US claimed
JP-60234986-A None JP disclosed
JP-59204158-A None JP disclosed
JP-59222592-A None JP disclosed
CN-119118861-A Preparation method and application of methotrexate intermediate 成都精西药业有限责任公司 2024-12-13 CN disclosed
CN-115138353-B Carbon source coated monolithic catalyst and preparation method and application thereof 横店集团东磁股份有限公司 2024-07-19 CN disclosed
CN-115138353-B Carbon source coated monolithic catalyst and preparation method and application thereof 横店集团东磁股份有限公司 2024-07-19 CN disclosed
CN-116920839-A Carbon-coated porous monolithic catalyst and preparation method thereof 横店集团东磁股份有限公司 2023-10-24 CN disclosed
US-4505788-A FROM P-NITROBENZOYL GLUTAMIC ACID TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1985-03-19 US disclosed
JP-S59222592-A PRODUCTION OF P-AMINOBENZOYL GLUTAMIC ACID TAKEDA CHEM IND LTD 1984-12-14 JP disclosed
JP-S59204158-A PRODUCTION OF P-AMINOBENZOYLGLUTAMIC ACID DAICEL CHEM IND LTD 1984-11-19 JP disclosed
EP-0031237-B1 QUINAZOLINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, COMPOSITIONS CONTAINING THEM AND THEIR USE AS ANTI-CANCER AGENTS NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1984-10-17 EP disclosed
US-4447608-A ANTITUMOR AGENTS NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1984-05-08 US disclosed
EP-0031237-A1 Quinazoline derivatives, processes for their preparation, compositions containing them and their use as anti-cancer agents NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1981-07-01 EP disclosed
US-4191765-A 1-Aryloxy-2-hydroxy-3-aminopropanes HOECHST AKTIENGESELLSCHAFT (DE) 1980-03-04 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 (1 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-20070112216-A1 Method for producing chiral mercapto amino acids CPN1, AKR1C3, AHCY CA2 361/4885CA1 113/4885MAPT 4649/4885

“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.