SCHEMBL1994982

SCHEMBL1994982

O=C(CO)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.70
ACE P12821 4/20 0.68
ITGB2 P05107 6/20 0.67
ICAM1 P05362 6/20 0.67
ITGAL P20701 6/20 0.67
ERAP2 Q6P179 2/20 0.66
POLB P06746 2/20 0.65
P2RY14 Q15391 1/20 0.65
TP53 P04637 1/20 0.65
MEN1 O00255 1/20 0.63
MAPT P10636 1/20 0.63
KMT2A Q03164 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
KDM4E B2RXH2 1/20 0.63

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
SCHEMBL1994981 1.00 ALOX15 (0.70) ALOX15ACEITGB2ICAM1ITGAL
SCHEMBL3728145 0.90 ALOX15 (0.70) ALOX15ACEITGB2ICAM1ITGAL
SCHEMBL29987387 0.90 ALOX15 (0.70) ALOX15ACEITGB2ICAM1ITGAL
SCHEMBL6313468 0.90 ALOX15 (0.70) ALOX15ACEITGB2ICAM1ITGAL
SCHEMBL30936746 0.90 ALOX15 (0.70) ALOX15ACEITGB2ICAM1ITGAL
SCHEMBL13278205 0.90 ALOX15 (0.70) ALOX15ACEITGB2ICAM1ITGAL
SCHEMBL11495534 0.88 ACE (0.71) ALOX15ACEITGB2ICAM1ITGAL
SCHEMBL7745569 0.88 ALOX15 (0.68) ALOX15ACEITGB2ICAM1ITGAL
SCHEMBL4184039 0.88 ALOX15 (0.72) ALOX15ACEITGB2ICAM1ITGAL
SCHEMBL11495529 0.88 ACE (0.71) ALOX15ACEITGB2ICAM1ITGAL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023069598-A1 CHRONIC WOUND HEALING BIOMARKER DIAGNOSTICS THE TRUSTEES OF INDIANA UNIVERSITY (US) 2023-04-27 WO claimed
EP-3555615-A1 MASS SPECTROMETRY ASSAY METHOD FOR DETECTION AND QUANTITATION OF KIDNEY FUNCTION METABOLITES Metabolon, Inc. (US) 2019-10-23 EP claimed
US-20180214556-A1 AQUEOUS COMPOSITION COMPRISING AT LEAST ONE PROTEIN AND ONE SOLUBILIZING AGENT, PREPARATION THEREOF AND USES THEREOF ADOCIA (FR) 2018-08-02 US claimed
WO-2018118630-A1 MASS SPECTROMETRY ASSAY METHOD FOR DETECTION AND QUANTITATION OF KIDNEY FUNCTION METABOLITES METABOLON, INC. (US) 2018-06-28 WO claimed
EP-3129909-A1 SMALL MOLECULE BIOCHEMICAL PROFILING OF INDIVIDUAL SUBJECTS FOR DISEASE DIAGNOSIS AND HEALTH ASSESSMENT Metabolon, Inc. (US) 2017-02-15 EP claimed
WO-2016025429-A1 PRECISE ESTIMATION OF GLOMERULAR FILTRATION RATE FROM MULTIPLE BIOMARKERS THE JOHNS HOPKINS UNIVERSITY (US) 2016-02-18 WO claimed
US-20150335751-A1 AQEOUS COMPOSITION COMPRISING AT LEAST ONE PROTEIN AND ONE SOLUBILIZING AGENT, PREPARATION THEREOF AND USES THEREOF ADOCIA (FR) 2015-11-26 US claimed
WO-2015173377-A1 AQUEOUS COMPOSITION COMPRISING AT LEAST ONE PROTEIN AND ONE SOLUBILIZING AGENT, PREPARATION THEREOF AND USES THEREOF ADOCIA (FR) 2015-11-19 WO claimed
WO-2015157407-A1 SMALL MOLECULE BIOCHEMICAL PROFILING OF INDIVIDUAL SUBJECTS FOR DISEASE DIAGNOSIS AND HEALTH ASSESSMENT METABOLON, INC. (US) 2015-10-15 WO claimed
EP-2914962-A1 BIOMARKERS OF MULTIPLE MYELOMA DEVELOPMENT AND PROGRESSION Ospedale San Raffaele S.r.l. (IT) 2015-09-09 EP claimed
WO-2015010137-A2 BIOCHEMICAL MARKERS OF PLATELET STORAGE PUGET SOUND BLOOD CENTER (US) 2015-01-22 WO claimed
WO-2014068144-A1 BIOMARKERS OF MULTIPLE MYELOMA DEVELOPMENT AND PROGRESSION OSPEDALE SAN RAFFAELE S.R.L. (IT) 2014-05-08 WO claimed
WO-2010124269-A1 METHODS FOR DIAGNOSIS OF SEPSIS AND RISK OF DEATH NATIONAL CENTER FOR GENOME RESOURCES (US) 2010-10-28 WO claimed
US-11992518-B2 Molecular vaccines for infectious disease AGILENT TECHNOLOGIES, INC. (US) 2024-05-28 US disclosed
EP-3965820-A1 COMPOSITIONS AND METHODS FOR PROMOTING HEALTHY NEURAL DEVELOPMENT IN AN UNBORN BABY The Regents of the University of California (US) 2022-03-16 EP disclosed
US-10968269-B1 MHC multimers in borrelia diagnostics and disease AGILENT TECHNOLOGIES, INC. (US) 2021-04-06 US disclosed
EP-1430307-A2 A METHOD OF PROTEIN ANALYSIS Oxford GlycoSciences (UK) Ltd, Attn: Mary Gadsden (GB) 2004-06-23 EP disclosed
EP-1320754-A2 DETECTION OF PEPTIDES Oxford GlycoSciences (UK) Limited (GB) 2003-06-25 EP disclosed
WO-2003027681-A2 A METHOD OF PROTEIN ANALYSIS OXFORD GLYCOSCIENCES (UK) LTD (GB) 2003-04-03 WO disclosed
WO-2002025287-A2 DETECTION OF PEPTIDES OXFORD GLYCOSCIENCES (UK) LTD. (GB) 2002-03-28 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 (2 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-20180214556-A1 AQUEOUS COMPOSITION COMPRISING AT LEAST ONE PROTEIN AND ONE SOLUBILIZING AGENT, PREPARATION THEREOF AND USES THEREOF SET, SON, S100A6 ALOX15 4830/4885ACE 819/4885ITGB2 4868/4885
US-20150335751-A1 AQEOUS COMPOSITION COMPRISING AT LEAST ONE PROTEIN AND ONE SOLUBILIZING AGENT, PREPARATION THEREOF AND USES THEREOF ATIC, SON, MAX ALOX15 4754/4885ACE 525/4885ITGB2 4871/4885

“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.