SCHEMBL372365

SCHEMBL372365

NC(CCCCc1ccccc1)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.66
ALPI P09923 1/20 0.58
PKM P14618 1/20 0.58
PTGS1 P23219 1/20 0.58
XIAP P98170 1/20 0.58
SLC7A5 Q01650 1/20 0.58
POLB P06746 1/20 0.55
KMT2A Q03164 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
S1PR2 O95136 1/20 0.54
S1PR4 O95977 1/20 0.54
S1PR1 P21453 1/20 0.54
S1PR3 Q99500 1/20 0.54
NOS1 P29475 2/20 0.54
LTA4H P09960 1/20 0.52
GSR P00390 1/20 0.52
MAPT P10636 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
TRPA1 O75762 1/20 0.51
KIF11 P52732 3/20 0.50

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
SCHEMBL3390123 1.00 GRIK1 (0.66) GRIK1ALPIPKMPTGS1XIAP
SCHEMBL28465699 1.00 GRIK1 (0.66) GRIK1ALPIPKMPTGS1XIAP
SCHEMBL17686506 0.98 GRIK1 (0.64) GRIK1ALPIPKMPTGS1XIAP
SCHEMBL3664379 0.98 GRIK1 (0.64) GRIK1ALPIPKMPTGS1XIAP
SCHEMBL28469566 0.98 GRIK1 (0.64) GRIK1ALPIPKMPTGS1XIAP
SCHEMBL24816430 0.98 GRIK1 (0.64) GRIK1ALPIPKMPTGS1XIAP
SCHEMBL23176817 0.98 GRIK1 (0.64) GRIK1ALPIPKMPTGS1XIAP
SCHEMBL17686507 0.98 GRIK1 (0.64) GRIK1ALPIPKMPTGS1XIAP
Hydrochloric Acid SCHEMBL27330363 0.98 GRIK1 (0.64) GRIK1ALPIPKMPTGS1XIAP
SCHEMBL3664561 0.98 GRIK1 (0.64) GRIK1ALPIPKMPTGS1XIAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024148312-A1 COMPOSITIONS, SYSTEMS, AND METHODS FOR AMINO ACID SYNTHESIS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-07-11 WO claimed
EP-1165491-B1 LTA4 HYDROLASE INHIBITORS INST NAT SANTE RECH MED (FR) 2004-02-11 EP claimed
US-20030032774-A1 Novel opioid peptides for the treatment of pain ASTRAZENECA AB 2003-02-13 US claimed
EP-1164141-A2 Opioid peptides and their use for treatment of pain AstraZeneca AB (SE) 2001-12-19 EP claimed
WO-2024148312-A1 COMPOSITIONS, SYSTEMS, AND METHODS FOR AMINO ACID SYNTHESIS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-07-11 WO disclosed
CN-114401633-A Pest control method, pest control agent composition, and pest control agent set 日本曹达株式会社 2022-04-26 CN disclosed
CN-111777521-A Synthesis method of multi-configuration long-chain phenyl amino acid compound 苏州爱玛特生物科技有限公司 2020-10-16 CN disclosed
CN-106749373-B Rubber additive and preparation and application thereof 同济大学 2020-06-26 CN disclosed
EP-2409569-B1 Method for administering GLP-1 molecules EMISPHERE TECH INC (US) 2017-08-16 EP disclosed
US-9649373-B2 Neoseptins: small molecule adjuvants THE SCRIPPS INSTITUTE (US) 2017-05-16 US disclosed
US-9649373-B2 Neoseptins: small molecule adjuvants THE SCRIPPS INSTITUTE (US) 2017-05-16 US disclosed
EP-2958889-B1 NEOSEPTINS: SMALL MOLECULE ADJUVANTS SCRIPPS RESEARCH INST (US) 2017-03-22 EP disclosed
WO-1998034632-A1 COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 1998-08-13 WO disclosed
US-5776888-A 3-(DIMETHOXYBENZOYLAMINOPHENYL) PROPIONIC ACID EMISPHERE TECHNOLOGIES, INC. (US) 1998-07-07 US disclosed
US-5773647-A USING A AROMATIC COMPOUND CONTAINING AMIDE AND CARBOXY GROUPS EMISPHERE TECHNOLOGIES, INC. (US) 1998-06-30 US disclosed
US-4933367-A Carboxylic acid derivatives, processes for the preparation thereof, the use thereof, and pharmaceutical compositions which contain these compounds BOEHRINGER MANNHEIM GMBH (DE) 1990-06-12 US disclosed
CN-1039596-A Preparation method in conjunction with the peptide of retroviral Protease SMITHKLINE BECKMAN CORP (US) 1990-02-14 CN disclosed
EP-0226636-B1 NEW CARBOXYLIC ACID DERIVATIVES, THEIR MANUFACTURING PROCESS, USE AND MEDICINES CONTAINING THESE COMPOUNDS Roche Diagnostics GmbH (DE) 1989-02-08 EP disclosed
EP-0226636-A1 NEW CARBOXYLIC ACID DERIVATIVES, THEIR MANUFACTURING PROCESS, USE AND MEDICINES CONTAINING THESE COMPOUNDS. BOEHRINGER MANNHEIM GMBH (DE) 1987-07-01 EP disclosed
WO-1987000521-A2 NEW CARBOXYLIC ACID DERIVATIVES, THEIR MANUFACTURING PROCESS, USE AND MEDICINES CONTAINING THESE COMPOUNDS BOEHRINGER MANNHEIM GMBH (DE) 1987-01-29 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 (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-20030032774-A1 Novel opioid peptides for the treatment of pain OPRL1, OPRK1, OPRM1 GRIK1 291/4885ALPI 4275/4885PKM 2837/4885

“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.