SCHEMBL3841332

SCHEMBL3841332

N[C@@H](Cc1ccccc1)C(O)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALPI P09923 1/20 0.62
PKM P14618 1/20 0.62
PTGS1 P23219 1/20 0.62
XIAP P98170 1/20 0.62
SLC7A5 Q01650 1/20 0.62
SLC15A1 P46059 2/20 0.57
LAP3 P28838 7/20 0.56
ANPEP P15144 2/20 0.56
RNPEP Q9H4A4 1/20 0.56
DNPEP Q9ULA0 1/20 0.56
SLC1A3 P43003 2/20 0.56
SLC1A2 P43004 2/20 0.56
SLC1A1 P43005 2/20 0.56
CYP1A2 P05177 1/20 0.55
LTA4H P09960 2/20 0.55
SRR Q9GZT4 2/20 0.52
EPHX1 P07099 1/20 0.50
CPA1 P15085 1/20 0.48
CPA3 P15088 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
SCHEMBL7415433 1.00 ALPI (0.62) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL244193 1.00 ALPI (0.62) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL7436847 1.00 ALPI (0.62) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL7698421 1.00 ALPI (0.62) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL5491058 1.00 ALPI (0.62) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL2201323 1.00 ALPI (0.62) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL2029167 1.00 ALPI (0.62) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL650855 1.00 ALPI (0.62) ALPIPKMPTGS1XIAPSLC7A5
Hydrochloric Acid SCHEMBL1309497 0.98 ALPI (0.60) ALPIPKMPTGS1XIAPSLC7A5
Hydrochloric Acid SCHEMBL3688220 0.98 ALPI (0.60) ALPIPKMPTGS1XIAPSLC7A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0778827-B1 PROCESS FOR PRODUCING A BETA-AMINO ALCOHOL DEGUSSA (DE) 2001-12-12 EP claimed
US-5994555-A (4S,5S)-4-BENZYL-2-OXO-OXAZOLIDINE-5-CARBOXYLIC ACID FROM PHENYLALANINE AND PHTHALIC ANHYDRIDE F. HOFFMAN-LAROCHE AG (CH) 1999-11-30 US claimed
US-5859248-A Process for the production of a β-amino alcohol F. HOFFMAN-LA ROCHE AG (CH) 1999-01-12 US claimed
US-11844776-B2 Composition for treatment and/or prevention of peripheral nerve disorder OSAKA CITY UNIVERSITY (JP) 2023-12-19 US disclosed
EP-3466421-B1 COMPOSITION FOR THE TREATMENT OF PERIPHERAL NERVE DISORDERS UNIV OSAKA CITY (JP) 2022-11-30 EP disclosed
US-20190314320-A1 COMPOSITION FOR TREATMENT AND/OR PREVENTION OF PERIPHERAL NERVE DISORDER OSAKA CITY UNIVERSITY (JP) 2019-10-17 US disclosed
US-20190270770-A1 DIPEPTIDYL KETOAMIDE COMPOUNDS AND THEIR USE FOR THE TREATMENT AND/OR PREVENTION OF FAT ACCUMULATION LANDSTEINER GENMED S L 2019-09-05 US disclosed
US-10294269-B2 Dipeptidyl ketoamide compounds and their use for the treatment and/or prevention of fat accumulation LANDSTEINER GENMED, S.L. (ES) 2019-05-21 US disclosed
EP-3466421-A1 COMPOSITION FOR TREATMENT AND/OR PREVENTION OF PERIPHERAL NERVE DISORDER Osaka City University (JP) 2019-04-10 EP disclosed
EP-3191112-B1 DIPEPTIDYL KETOAMIDE COMPOUNDS AND THEIR USE FOR THE TREATMENT AND/OR PREVENTION OF FAT ACCUMULATION LANDSTEINER GENMED S L (ES) 2019-03-20 EP disclosed
EP-2647386-B1 LISSENCEPHALY THERAPEUTIC AGENT UNIV OSAKA CITY (JP) 2018-09-05 EP disclosed
US-6329502-B1 VIRICIDES AGAINST HUMAN IMMUNODEFICIENCY VIRUS; TREATMENT OF AIDS (ACQUIRED IMMUNE DEFICIENCY SYNDROME) JAPAN ENERGY CORPORATION (JP) 2001-12-11 US disclosed
US-6313094-B1 COMPOSITION FOR INHIBITING HUMAN IMMUNODEFICIENCY VIRUS REPLICATION JAPAN ENERGY CORPORATION (JP) 2001-11-06 US disclosed
US-6063955-A OXIDIZING A THREO OR THREO-ERYTHRO-3-AMINO-2-HYDROXYBUTYRIC ACID ESTER, OPTICALLY ACTIVE AT 3-POSITION TO PRODUCE AN OPTICALLY ACTIVE 3-AMINO-2-OXOBUTYRIC ESTER, REDUCING ERYTHRO-SELECTIVELY CARBONYL GROUP AT 2-POSITION NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2000-05-16 US disclosed
CN-1245486-A Ketobenzamides as calpain inhibitors BASF AG (DE) 2000-02-23 CN disclosed
US-5994555-A (4S,5S)-4-BENZYL-2-OXO-OXAZOLIDINE-5-CARBOXYLIC ACID FROM PHENYLALANINE AND PHTHALIC ANHYDRIDE F. HOFFMAN-LAROCHE AG (CH) 1999-11-30 US disclosed
EP-0934923-A1 OPTICALLY ACTIVE ERYTHRO-3-AMINO-2-HYDROXYBUTYRIC ESTERS AND PROCESS FOR PREPARING SAID ESTERS NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1999-08-11 EP disclosed
EP-0490667-B1 HIV protease inhibitors JAPAN ENERGY CORP (JP) 1999-06-09 EP disclosed
US-5859248-A Process for the production of a β-amino alcohol F. HOFFMAN-LA ROCHE AG (CH) 1999-01-12 US disclosed
EP-0490667-A2 HIV protease inhibitors JAPAN ENERGY CORPORATION (JP) 1992-06-17 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 (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-20190314320-A1 COMPOSITION FOR TREATMENT AND/OR PREVENTION OF PERIPHERAL NERVE DISORDER PMP22, PRPH, NGF ALPI 2951/4885PKM 562/4885PTGS1 487/4885
US-10294269-B2 Dipeptidyl ketoamide compounds and their use for the treatment and/or prevention of fat accumulation DPP4, DPP3, DPP8 ALPI 533/4885PKM 180/4885PTGS1 2086/4885
US-20190270770-A1 DIPEPTIDYL KETOAMIDE COMPOUNDS AND THEIR USE FOR THE TREATMENT AND/OR PREVENTION OF FAT ACCUMULATION DPP4, DPP3, DPP8 ALPI 533/4885PKM 180/4885PTGS1 2086/4885
US-11844776-B2 Composition for treatment and/or prevention of peripheral nerve disorder PMP22, PRPH, NGF ALPI 2951/4885PKM 562/4885PTGS1 487/4885

“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.