SCHEMBL996293

SCHEMBL996293

CCOC(=O)NC(Cc1ccccc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.58
ITGB3 P05106 6/20 0.57
ITGAV P06756 1/20 0.57
MME P08473 2/20 0.55
CTSL P07711 2/20 0.55
ACE P12821 2/20 0.55
CPA1 P15085 1/20 0.55
ACE2 Q9BYF1 1/20 0.55
CTSB P07858 1/20 0.54
CTSS P25774 1/20 0.54
CTSK P43235 1/20 0.54
TYR P14679 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
ALDH1A1 P00352 1/20 0.53
ALOX15 P16050 1/20 0.53
ITGA2B P08514 5/20 0.53
NAALAD2 Q9Y3Q0 1/20 0.52
MMP8 P22894 1/20 0.52

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
SCHEMBL3769914 1.00 L3MBTL1 (0.58) L3MBTL1ITGB3ITGAVMMECTSL
SCHEMBL996291 1.00 L3MBTL1 (0.58) L3MBTL1ITGB3ITGAVMMECTSL
Hydrochloric Acid SCHEMBL27371193 0.98 L3MBTL1 (0.57) L3MBTL1ITGB3ITGAVMMECTSL
Hydrochloric Acid SCHEMBL28046933 0.98 L3MBTL1 (0.57) L3MBTL1ITGB3ITGAVMMECTSL
SCHEMBL10964365 0.91 MMP8 (0.56) CTSLCTSBCTSSCTSKALDH1A1
SCHEMBL7291638 0.89 ITGB3 (0.54) L3MBTL1ITGB3ITGAVCTSLCTSB
SCHEMBL8244008 0.89 ALDH1A1 (0.59) CTSLCTSBCTSSCTSKALDH1A1
SCHEMBL7460396 0.89 POLB (0.64) L3MBTL1ALDH1A1ALOX15
SCHEMBL10801015 0.88 CTSL (0.54) CTSLCTSBCTSSCTSKALDH1A1
SCHEMBL15219608 0.88 CTSL (0.52) CTSLCTSBCTSSCTSKALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024043313-A1 REVERSIBLE THERMOCHROMIC COMPOSITION, MICROENCAPSULATED PIGMENT USING SAID REVERSIBLE THERMOCHROMIC COMPOSITION, WRITING TOOL, AND TOY 三菱ケミカル株式会社 2024-02-29 WO disclosed
US-20180305297-A1 DTPA PRODRUGS, COMPOSITIONS THEREOF, AND METHODS OF USING THE SAME UNIV NORTH CAROLINA CHAPEL HILL (US) 2018-10-25 US disclosed
US-9969681-B2 DTPA prodrugs, compositions thereof, and methods of using the same THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2018-05-15 US disclosed
US-20170088506-A1 DTPA PRODRUGS, COMPOSITIONS THEREOF, AND METHODS OF USING THE SAME NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-03-30 US disclosed
US-9546129-B2 DTPA prodrugs, compositions thereof, and methods of using the same THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2017-01-17 US disclosed
US-20150251991-A1 DTPA PRODRUGS, COMPOSITIONS THEREOF, AND METHODS OF USING THE SAME THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2015-09-10 US disclosed
US-20140243411-A1 TOPICAL DTPA PRODRUG FORMULATIONS AND METHODS OF USING THE SAME THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2014-08-28 US disclosed
EP-2655322-A1 PROCESS FOR PREPARING CHIRAL AMINO ACIDS Diverchim (FR) 2013-10-30 EP disclosed
WO-2013109323-A2 TOPICAL DTPA PRODRUG FORMULATIONS AND METHODS OF USING THE SAME THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2013-07-25 WO disclosed
US-20120198576-A1 METHODS FOR MAKING EMBRYONIC CELLS, EMBRYOS, AND ANIMALS SENSITIZED TO STRESS BRANDEIS UNIVERSITY (US) 2012-08-02 US disclosed
US-20030040644-A1 Synthesis of nitroalcohol diastereomers PHARM-ECO LABORATORIES, INC. 2003-02-27 US disclosed
US-6462221-B1 3-SUBSTITUTED-3-AMINO-2-HYDROXYPROPANOIC ACID SALT OR 1-NITRO-3-SUBSTITUTE-3-AMINO-2-HYDROXYPROPANOL DIASTEREOMERS OBTAINED FROM SIMULATED MOVING BED SEPARATION PHARM-ECO LABORATORIES, INC. 2002-10-08 US disclosed
EP-1159253-A2 SYNTHESIS OF NITROALCOHOL DIASTEREOMERS Johnson Matthey Pharmaceutical Materials Inc (US) 2001-12-05 EP disclosed
WO-2000050378-A9 SYNTHESIS OF NITROALCOHOL DIASTEREOMERS 2001-08-23 WO disclosed
EP-1078919-A1 SYNTHESIS OF $g(a)-AMINO-$g(a)',$g(a)'-DIHALOKETONES AND PROCESS FOR THE PREPARATION OF $g(b)-AMINO ACID DERIVATIVES BY THE USE OF THE SAME KANEKA CORPORATION (JP) 2001-02-28 EP disclosed
WO-2000050378-A2 SYNTHESIS OF NITROALCOHOL DIASTEREOMERS PHARM-ECO LABORATORIES, INC. (US) 2000-08-31 WO disclosed
US-5847144-A Process for manufacturing α,α'-diaminoalcohol HOFFMANN-LA ROCHE INC. (US) 1998-12-08 US disclosed
EP-0178911-B1 COMPOSITION CONTAINING A PENEM OR CARBAPENEM ANTIBIOTIC SANKYO COMPANY LIMITED (JP) 1992-01-22 EP disclosed
US-4757066-A Reduces renal toxicity SANKYO COMPANY LIMITED (JP) 1988-07-12 US disclosed
EP-0178911-A2 Composition containing a penem or carbapenem antibiotic SANKYO COMPANY LIMITED (JP) 1986-04-23 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 (5 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-20030040644-A1 Synthesis of nitroalcohol diastereomers ALDH7A1, ADRA1A, ADH1A L3MBTL1 2514/4885ITGB3 274/4885ITGAV 690/4885
US-20180305297-A1 DTPA PRODRUGS, COMPOSITIONS THEREOF, AND METHODS OF USING THE SAME NAPEPLD, NAAA, DNPEP L3MBTL1 3930/4885ITGB3 3781/4885ITGAV 4058/4885
US-20170088506-A1 DTPA PRODRUGS, COMPOSITIONS THEREOF, AND METHODS OF USING THE SAME NAPEPLD, NAAA, DNPEP L3MBTL1 3930/4885ITGB3 3781/4885ITGAV 4058/4885
US-20150251991-A1 DTPA PRODRUGS, COMPOSITIONS THEREOF, AND METHODS OF USING THE SAME NAPEPLD, NAAA, DNPEP L3MBTL1 3930/4885ITGB3 3781/4885ITGAV 4058/4885
US-20140243411-A1 TOPICAL DTPA PRODRUG FORMULATIONS AND METHODS OF USING THE SAME CPA3, DNPEP, SLC16A1 L3MBTL1 4853/4885ITGB3 3871/4885ITGAV 3477/4885

“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.