SCHEMBL4432054

SCHEMBL4432054

NCCc1ccc(OCC(=O)O)cc1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.57
ALDH1A1 P00352 2/20 0.53
PPARD Q03181 1/20 0.52
PPARA Q07869 1/20 0.52
TBXA2R P21731 1/20 0.52
TBXAS1 P24557 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
FFAR1 O14842 1/20 0.51
MEN1 O00255 1/20 0.50
MAPT P10636 1/20 0.50
PTPN7 P35236 1/20 0.50
KMT2A Q03164 1/20 0.50
PTPN12 Q05209 1/20 0.50
MAOB P27338 1/20 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
SCHEMBL11332779 0.89 ALOX15 (0.53) ALOX15ALDH1A1PPARDPPARATBXA2R
SCHEMBL6540943 0.89 ALDH1A1 (0.73) ALOX15ALDH1A1PPARDPPARATBXA2R
Hydrochloric Acid SCHEMBL3179439 0.88 ALOX15 (0.52) ALOX15ALDH1A1PPARDPPARATBXA2R
SCHEMBL8138470 0.85 MAOB (0.50) MEN1KMT2AMAOB
SCHEMBL1249954 0.85 ALOX15 (0.61) ALOX15ALDH1A1PPARDTBXAS1SMN1; SMN2
SCHEMBL2185554 0.84 TAAR1 (0.53) MAOB
SCHEMBL7284452 0.83 PPARD (0.52) ALOX15PPARDPPARATBXA2RTBXAS1
SCHEMBL28669666 0.83 ALOX15 (0.70) ALOX15ALDH1A1PPARDPPARATBXA2R
SCHEMBL8849741 0.83 FFAR1 (0.67) ALOX15FFAR1
SCHEMBL2439826 0.83 ALOX15 (0.59) ALOX15ALDH1A1PPARDPPARATBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1754475-B1 Use of C-terminal modified oxamyl dipeptides as inhibitors of the ice/ced-3 family of cysteine proteases IDUN PHARMACEUTICALS INC (US) 2009-09-16 EP disclosed
US-7183260-B2 C-terminal modified oxamyl dipeptides as inhibitors of the ICE/ced-3 family of cysteine proteases IDUN PHARMACEUTICALS, INC. (US) 2007-02-27 US disclosed
EP-1754475-A1 Use of C-terminal modified oxamyl dipeptides as inhibitors of the ice/ced-3 family of cysteine proteases Idun Pharmaceuticals, Inc. (US) 2007-02-21 EP disclosed
US-7157430-B2 (Substituted)acyl dipeptidyl inhibitors of the ICE/CED-3 family of cysteine proteases IDUN PHARMACEUTICALS, INC. (US) 2007-01-02 US disclosed
EP-1091930-B1 C-TERMINAL MODIFIED OXAMYL DIPEPTIDES AS INHIBITORS OF THE ICE/ced-3 FAMILY OF CYSTEINE PROTEASES IDUN PHARMACEUTICALS INC (US) 2006-12-13 EP disclosed
US-7053056-B2 C-terminal modified oxamyl dipeptides as inhibitors of the ICE/ced-3 family of cysteine proteases IDUN PHARMACEUTICALS, INC. (US) 2006-05-30 US disclosed
US-20050020504-A1 C-terminal modified oxamyl dipeptides as inhibitors of the ICE/ced-3 family of cysteine proteases IDUN PHARMACEUTICALS, INC. (US) 2005-01-27 US disclosed
US-20040259804-A1 (Substituted)Acyl dipeptidyl inhibitors of the ICE/ced-3 family of cysteine proteases IDUN PHARMACEUTICALS, INC. 2004-12-23 US disclosed
EP-1480999-A2 (SUBSTITUTED)ACYL DIPEPTIDYL INHIBITORS OF THE ICE/CED-3 FAMILY OF CYSTEINE PROTEASES Idun Pharmaceuticals (US) 2004-12-01 EP disclosed
CN-1525978-A C-terminal modified oxamyl dipeptides as inhibitors of the ICE/ced-3 family of cysteine proteases 伊邓药品公司 2004-09-01 CN disclosed
US-5232922-A Cardiovascular disorders HOECHST AKTIENGESELLSCHAFT (DE) 1993-08-03 US disclosed
EP-0442348-A2 Imidazole compounds, process for preparation, medicaments based on these compounds and some intermediates HOECHST AKTIENGESELLSCHAFT (DE) 1991-08-21 EP disclosed
CN-1053919-A New imidazolium compounds, its preparation method and based on medicament and some intermediate product of these compounds HOECHST AG (DE) 1991-08-21 CN disclosed
US-4965260-A PENICILLINS CIBA-GEIGY CORPORATION (US) 1990-10-23 US disclosed
US-4892886-A TREATMENT OF OBESITY, DIABETES HOFFMAN-LA ROCHE INC. (US) 1990-01-09 US disclosed
EP-0278911-A1 Bicyclic beta-lactam carboxylic acids CIBA-GEIGY AG (CH) 1988-08-17 EP disclosed
EP-0004011-B1 PHENOXYALKYLCARBOXYLIC-ACID DERIVATIVES, PROCESS FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM Roche Diagnostics GmbH (DE) 1981-04-01 EP disclosed
US-4258058-A Phenoxyalkylcarboxylic acid compounds and thrombocyte-aggregation inhibition BOEHRINGER MANNHEIM GMBH (DE) 1981-03-24 US disclosed
EP-0004011-A1 Phenoxyalkylcarboxylic-acid derivatives, process for their preparation and medicaments containing them Roche Diagnostics GmbH (DE) 1979-09-19 EP disclosed
US-4153728-A ANTICHOLESTEROL AGENTS, ANTILIPEMIC AGENTS, ANTICOAGULANTS BOEHRINGER MANNHEIM GMBH (DE) 1979-05-08 US 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-20050020504-A1 C-terminal modified oxamyl dipeptides as inhibitors of the ICE/ced-3 family of cysteine proteases CASP3, DPP3, IAPP ALOX15 3096/4885ALDH1A1 4170/4885PPARD 4474/4885
US-20040259804-A1 (Substituted)Acyl dipeptidyl inhibitors of the ICE/ced-3 family of cysteine proteases DPP3, IAPP, CASP3 ALOX15 1522/4885ALDH1A1 2658/4885PPARD 2502/4885

“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.