SCHEMBL951558

SCHEMBL951558

O=C(N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)O)OCc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSL P07711 9/20 0.65
CTSB P07858 5/20 0.61
TGM2 P21980 1/20 0.59
ITGB3 P05106 4/20 0.58
ITGA2B P08514 4/20 0.58
P2RX7 Q99572 1/20 0.57
ITGA4 P13612 1/20 0.55
ITGB7 P26010 1/20 0.55

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
SCHEMBL8713258 1.00 CTSL (0.65) CTSLCTSBTGM2ITGB3ITGA2B
SCHEMBL11144067 1.00 CTSL (0.65) CTSLCTSBTGM2ITGB3ITGA2B
SCHEMBL11138908 1.00 CTSL (0.65) CTSLCTSBTGM2ITGB3ITGA2B
SCHEMBL8433969 0.93 CTSL (0.62) CTSLCTSBTGM2P2RX7ITGA4
SCHEMBL8436808 0.93 CTSL (0.62) CTSLCTSBTGM2P2RX7ITGA4
SCHEMBL8433892 0.93 CTSL (0.62) CTSLCTSBTGM2P2RX7ITGA4
SCHEMBL18228994 0.91 CTSL (0.64) CTSLCTSB
SCHEMBL10445399 0.91 CTSL (0.65) CTSLCTSB
SCHEMBL10445398 0.91 CTSL (0.65) CTSLCTSB
SCHEMBL7325251 0.89 ITGB3 (0.58) CTSLCTSBITGB3ITGA2BP2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115053184-B Composition for forming EUV resist underlayer film 日产化学株式会社 2024-12-06 CN disclosed
CN-115053184-A Composition for forming EUV resist underlayer film 日产化学株式会社 2022-09-13 CN disclosed
US-20140073788-A1 Preparation of Polymer Conjugates of Therapeutic, Agricultural, and Food Additive Compounds ELAN PHARMACEUTICALS, INC. (US) 2014-03-13 US disclosed
US-20130338164-A1 Multimeric VLA-4 Antagonists Comprising Polymers Moieties ELAN PHARMACEUTICALS, INC. (US) 2013-12-19 US disclosed
EP-1881982-B1 IMIDAZOLONE PHENYLALANINE DERIVATIVES AS VLA-4 ANTAGONISTS ELAN PHARM INC (US) 2013-11-20 EP disclosed
US-8569426-B2 Preparation of polymer conjugates of therapeutic, agricultural, and food additive compounds ELAN PHARMACEUTICALS, INC. (US) 2013-10-29 US disclosed
US-20130018187-A1 Preparation of Polymer Conjugates of Therapeutic, Agricultural, and Food Additive Compounds ELAN PHARMACEUTICALS, INC. (US) 2013-01-17 US disclosed
US-20120329807-A1 Multimeric VLA-4 Antagonists Comprising Polymers Moieties ELAN PHARMACEUTICALS, INC. (US) 2012-12-27 US disclosed
US-8338469-B2 Compounds and compositions as channel activating protease inhibitors IRM LLC (BM) 2012-12-25 US disclosed
US-8269009-B2 Methods and compositions for treating liquid tumors ELAN PHARMACEUTICALS, INC. (US) 2012-09-18 US disclosed
WO-1998012176-A1 3,4-DISUBSTITUTED AZETIDIN-2-ONE DERIVATIVES USEFUL AS CYSTEINE PROTEINASE REGULATORS SYNPHAR LABORATORIES INC. (US) 1998-03-26 WO disclosed
US-5677282-A ENZYME INHIBITOR; OSTEOARTHRITIS AND RHEUMATIC DISORDERS PROSCRIPT, INC. (US) 1997-10-14 US disclosed
US-5635527-A ANTAGONIST OF PLATELET MEMBRANE GLYCOPROTEIN; TREATMENT OF THROMBOTIC DISEASES THE GREEN CROSS CORPORATION (JP) 1997-06-03 US disclosed
WO-1996040745-A2 AMINO ACID AMIDES OF 5-AMINO-1,3,4-THIADIAZONES AND THEIR USE AS INHIBITORS FOR MATRIX METALLOPROTEINASES PROSCRIPT, INC. (US) 1996-12-19 WO disclosed
EP-0712844-A1 NOVEL FUSED-RING CARBOXYLIC ACID COMPOUND OR SALT THEREOF, AND MEDICINAL USE THEREOF THE GREEN CROSS CORPORATION (JP) 1996-05-22 EP disclosed
EP-0362002-A1 HIV protease inhibitors MERRELL DOW PHARMACEUTICALS INC. (US) 1990-04-04 EP disclosed
EP-0356595-A1 Novel peptidase inhibitors MERRELL DOW PHARMACEUTICALS INC. (US) 1990-03-07 EP disclosed
EP-0275101-A2 Novel peptidase inhibitors MERRELL DOW PHARMACEUTICALS INC. (US) 1988-07-20 EP disclosed
US-4548926-A RENIN INHIBITOR SANKYO COMPANY LIMITED (JP) 1985-10-22 US disclosed
EP-0128762-A2 New hypotensive peptides, their preparation and their use SANKYO COMPANY LIMITED (JP) 1984-12-19 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-20140073788-A1 Preparation of Polymer Conjugates of Therapeutic, Agricultural, and Food Additive Compounds MANBA, OAT, PIGO CTSL 1722/4885CTSB 635/4885TGM2 257/4885
US-20130018187-A1 Preparation of Polymer Conjugates of Therapeutic, Agricultural, and Food Additive Compounds MANBA, OAT, PIGO CTSL 1722/4885CTSB 635/4885TGM2 257/4885
US-20130338164-A1 Multimeric VLA-4 Antagonists Comprising Polymers Moieties VCAM1, ICAM1, ITGB4 CTSL 2709/4885CTSB 3202/4885TGM2 1514/4885
US-20120329807-A1 Multimeric VLA-4 Antagonists Comprising Polymers Moieties VCAM1, ICAM1, ITGB4 CTSL 2709/4885CTSB 3202/4885TGM2 1514/4885

“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.