SCHEMBL2496403

SCHEMBL2496403

C[C@@H](C(=O)O)N(C(=O)OCc1ccccc1)c1ccc2ccccc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.42
PPARA Q07869 4/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSS P25774 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
ALOX5 P09917 1/20 0.39
SLC1A3 P43003 1/20 0.39
SLC1A2 P43004 1/20 0.39
SLC1A1 P43005 1/20 0.39
MAOB P27338 1/20 0.38
PPARD Q03181 1/20 0.38
CASP1 P29466 1/20 0.38

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
SCHEMBL5229233 0.85 ALDH1A1 (0.49) ALDH1A1MAPTHPGDSLC6A2SLC6A3
SCHEMBL10515353 0.85 ALDH1A1 (0.49) ALDH1A1MAPTHPGDSLC6A2SLC6A3
SCHEMBL1812242 0.85 ALDH1A1 (0.49) ALDH1A1MAPTHPGDSLC6A2SLC6A3
SCHEMBL7453192 0.84 ALDH1A1 (0.41) PPARGPPARAALDH1A1MAPTHPGD
SCHEMBL7453188 0.84 ALDH1A1 (0.41) PPARGPPARAALDH1A1MAPTHPGD
SCHEMBL8905955 0.83 PPARG (0.45) PPARGPPARAALDH1A1MAPTHPGD
SCHEMBL4761971 0.83 PPARG (0.45) PPARGPPARAALDH1A1MAPTHPGD
SCHEMBL7448000 0.82 PPARG (0.44) PPARGPPARAALDH1A1MAPTHPGD
SCHEMBL7447493 0.82 ALDH1A1 (0.44) PPARGPPARAALDH1A1MAPTHPGD
SCHEMBL7447497 0.82 ALDH1A1 (0.44) PPARGPPARAALDH1A1MAPTHPGD

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8030279-B2 Tamandarin analogs and fragments thereof and methods of making and using THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2011-10-04 US disclosed
EP-1613338-A4 TAMANDARIN ANALOGS AND FRAGMENTS THEREOF AND METHODS OF MAKING AND USING JOULLIE MADELEINE M (US) 2009-06-24 EP disclosed
US-20070149446-A1 Tamandarin analogs and fragments thereof and methods of making and using THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA CENTER FOR TECHNOLOGY TRANSFER (US) 2007-06-28 US disclosed
EP-1613338-A2 TAMANDARIN ANALOGS AND FRAGMENTS THEREOF AND METHODS OF MAKING AND USING Joullie, Madeleine M. (US) 2006-01-11 EP disclosed
WO-2004084812-A2 TAMANDARIN ANALOGS AND FRAGMENTS THEREOF AND METHODS OF MAKING AND USING JOULLIE MADELEINE M (US) 2004-10-07 WO disclosed
US-6030946-A FUNCTIONS REVERSIBLY, RESULTING IN TIGHT BINDING (LOW DISSOCIATION CONSTANTS) BETWEEN INHIBITOR AND TARGET ENZYME; USED TO TREAT VARIETY OF DISEAES, INCLUDING ARTHRITIS, MUSCULAR DYSTROPHY, INFLAMMATION, TUMOR INVASION, MALERIA AXYS PHARMACEUTICALS, INC. (US) 2000-02-29 US disclosed
EP-0932619-A1 MACROCYCLIC PEPTIDES USEFUL IN THE TREATMENT OF THROMBIN RELATED DISORDERS Ortho-McNeil Pharmaceutical, Inc. (US) 1999-08-04 EP disclosed
US-5888971-A ANTICOAGULANT ORTHO PHARMACEUTICAL CORPORATION, INC. (US) 1999-03-30 US disclosed
CN-1192219-A Reversible cysteine protease inhibitors ARRIS PHARM CORP (US) 1998-09-02 CN disclosed
EP-0832099-A1 REVERSIBLE CYSTEINE PROTEASE INHIBITORS ARRIS PHARMACEUTICAL CORPORATION (US) 1998-04-01 EP disclosed
WO-1997030080-A1 MACROCYCLIC PEPTIDES USEFUL IN THE TREATMENT OF THROMBIN RELATED DISORDERS ORTHO PHARMACEUTICAL CORPORATION (US) 1997-08-21 WO disclosed
WO-1996040737-A1 REVERSIBLE CYSTEINE PROTEASE INHIBITORS ARRIS PHARMACEUTICAL CORPORATION (US) 1996-12-19 WO disclosed
EP-0209897-A2 Peptide enzyme inhibitors MERCK & CO. INC. (US) 1987-01-28 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 (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-20070149446-A1 Tamandarin analogs and fragments thereof and methods of making and using FOXM1, F3, RB1 PPARG 4137/4885PPARA 4222/4885ALDH1A1 1558/4885

“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.