SCHEMBL4604590

SCHEMBL4604590

NCCC[C@@H](C(=O)O)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.68
POLB P06746 4/20 0.68
KDM4E B2RXH2 1/20 0.68
TP53 P04637 1/20 0.68
GLA P06280 1/20 0.68
CYP3A4 P08684 1/20 0.68
CYP2D6 P10635 1/20 0.68
HPGD P15428 1/20 0.68
ALOX12 P18054 1/20 0.68
NFKB1 P19838 1/20 0.68
APEX1 P27695 1/20 0.68
MAPK1 P28482 1/20 0.68
HSD17B10 Q99714 1/20 0.68
GAA P10253 2/20 0.60
L3MBTL1 Q9Y468 2/20 0.54
KMT2A Q03164 3/20 0.51
MEN1 O00255 1/20 0.51
HIF1A Q16665 1/20 0.50
DNMT1 P26358 6/20 0.48
CYP2C19 P33261 1/20 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
Hydrochloric Acid SCHEMBL4604330 0.98 ALDH1A1 (0.66) ALDH1A1POLBKDM4ETP53GLA
SCHEMBL853260 0.95 ALDH1A1 (0.66) ALDH1A1POLBKDM4ETP53GLA
SCHEMBL3441076 0.95 ALDH1A1 (0.66) ALDH1A1POLBKDM4ETP53GLA
SCHEMBL31710840 0.84 ALDH1A1 (0.82) ALDH1A1POLBKDM4ETP53GLA
SCHEMBL9741723 0.84 ALDH1A1 (0.82) ALDH1A1POLBKDM4ETP53GLA
SCHEMBL10492337 0.84 ALDH1A1 (0.68) ALDH1A1POLBKDM4ETP53GLA
SCHEMBL5828001 0.84 ALDH1A1 (0.68) ALDH1A1POLBKDM4ETP53GLA
SCHEMBL29783279 0.84 POLB (0.68) ALDH1A1POLBKDM4ETP53GLA
SCHEMBL5828004 0.84 ALDH1A1 (0.68) ALDH1A1POLBKDM4ETP53GLA
SCHEMBL133528 0.84 POLB (0.68) ALDH1A1POLBKDM4ETP53GLA

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
EP-0345308-B1 ORNITHINE DERIVATIVES AND THEIR USE AS INHIBITORS OF METHOTREXATE RESISTANT CELLS DANA-FARBER CANCER INSTITUTE, INC. (US) 1993-03-17 EP claimed
EP-1660093-B1 AMMONIUM SALTS OF ORNITHINE DERIVATIVES FOR TREATING INFLAMMATORY DISEASES HANA BIOSCIENCES INC (US) 2008-07-16 EP disclosed
US-20070219204-A1 Pharmaceutically active ornitihine derivatives, ammonium salts thereof and methods of making same DANA-FARBER CANCER INSTITUTE 2007-09-20 US disclosed
CN-1780631-A anticancer phosphonate analogs GILEAD SCIENCES INC (US) 2006-05-31 CN disclosed
US-20060079531-A1 Pharmaceutically active ornithine derivatives, ammonium salts thereof and methods of making same DANA-FARBER CANCER INSTITUTE 2006-04-13 US disclosed
EP-1638973-A1 PHARMACEUTICALLY ACTIVE ORNITHINE DERIVATIVES, AMMONIUM SALTS THEREOF AND METHODS OF MAKING SAME DANA-FARBER CANCER INSTITUTE (US) 2006-03-29 EP disclosed
US-6989386-B2 Pharmaceutically active ornithine derivatives, ammonium salts thereof and methods of making same DANA-FARBER CANCER INSTITUTE (US) 2006-01-24 US disclosed
US-20050032807-A1 Methods of treating inflammatory diseases with ammonium salts of ornitihine derivatives HANA BIOSCIENCES, INC. 2005-02-10 US disclosed
WO-2004094427-A1 PHARMACEUTICALLY ACTIVE ORNITHINE DERIVATIVES, AMMONIUM SALTS THEREOF AND METHODS OF MAKING SAME DANA-FARBER CANCER INSTITUTE (US) 2004-11-04 WO disclosed
US-20040072837-A1 Pharmaceutically active ornithine derivatives, ammonium salts thereof and methods of making same NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2004-04-15 US disclosed
EP-0345308-B1 ORNITHINE DERIVATIVES AND THEIR USE AS INHIBITORS OF METHOTREXATE RESISTANT CELLS DANA-FARBER CANCER INSTITUTE, INC. (US) 1993-03-17 EP disclosed
EP-0345308-A4 ORNITHINE DERIVATIVES AND THEIR USE AS INHIBITORS OF METHOTREXATE RESISTANT CELLS. DANA FARBER CANCER INST INC (US) 1990-05-14 EP disclosed
EP-0345308-A1 ORNITHINE DERIVATIVES AND THEIR USE AS INHIBITORS OF METHOTREXATE RESISTANT CELLS. DANA FARBER CANCER INST INC (US) 1989-12-13 EP disclosed
WO-1989004312-A1 ORNITHINE DERIVATIVES AND THEIR USE AS INHIBITORS OF METHOTREXATE RESISTANT CELLS DANA-FARBER CANCER INSTITUTE (US) 1989-05-18 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 (4 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-20040072837-A1 Pharmaceutically active ornithine derivatives, ammonium salts thereof and methods of making same OTC, OAT, DOHH ALDH1A1 1130/4885POLB 2230/4885KDM4E 879/4885
US-20050032807-A1 Methods of treating inflammatory diseases with ammonium salts of ornitihine derivatives ARG1, OTC, OAT ALDH1A1 1371/4885POLB 2194/4885KDM4E 1181/4885
US-20060079531-A1 Pharmaceutically active ornithine derivatives, ammonium salts thereof and methods of making same OTC, OAT, ODC1 ALDH1A1 1286/4885POLB 1531/4885KDM4E 719/4885
US-20070219204-A1 Pharmaceutically active ornitihine derivatives, ammonium salts thereof and methods of making same OTC, OAT, ODC1 ALDH1A1 1751/4885POLB 2100/4885KDM4E 1117/4885

“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.