SCHEMBL4427701

SCHEMBL4427701

CC(C)(C)OC(=O)NCCc1ccc(OCC(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.52
TBXA2R P21731 1/20 0.51
TBXAS1 P24557 1/20 0.51
CA1 P00915 6/20 0.50
CA2 P00918 6/20 0.50
CA12 O43570 5/20 0.50
CA9 Q16790 5/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
EPHX2 P34913 1/20 0.50
NR1H4 Q96RI1 1/20 0.50
NAMPT P43490 1/20 0.49
GLA P06280 1/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 1/20 0.46
NPC1 O15118 1/20 0.46
GAA P10253 1/20 0.46
RAB9A P51151 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
SUCNR1 Q9BXA5 2/20 0.45

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
SCHEMBL3174253 0.92 CA1 (0.53) TBXA2RTBXAS1CA1CA2CA12
SCHEMBL917117 0.91 CA1 (0.54) TBXA2RTBXAS1CA1CA2CA12
SCHEMBL2187363 0.89 CA1 (0.50) PTPN1CA1CA2CA12CA9
SCHEMBL13220487 0.89 PTPN1 (0.47) PTPN1TBXA2RTBXAS1CA1CA2
SCHEMBL7621920 0.88 PTPN1 (0.51) PTPN1CA1CA2CA12CA9
SCHEMBL31606699 0.87 CA1 (0.54) CA1CA2CA12CA9NAMPT
SCHEMBL13886737 0.86 PTPN1 (0.53) PTPN1CA1CA2CA12CA9
SCHEMBL3608658 0.86 EPHX2 (0.62) CA1CA2CA12CA9SMN1; SMN2
SCHEMBL27741033 0.86 ACACB (0.59) CA1CA2CA12CA9SMN1; SMN2
SCHEMBL21068676 0.86 CA12 (0.66) CA1CA2CA12CA9SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8945927-B2 Polymers for delivering molecules of interest UNIVERSITE DE STRASBOURG (FR) 2015-02-03 US disclosed
US-8945927-B2 Polymers for delivering molecules of interest UNIVERSITE DE STRASBOURG (FR) 2015-02-03 US disclosed
US-20130096177-A1 POLYMERS FOR DELIVERING MOLECULES OF INTEREST CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2013-04-18 US disclosed
US-20130096177-A1 POLYMERS FOR DELIVERING MOLECULES OF INTEREST CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2013-04-18 US disclosed
WO-2011120953-A1 POLYMERS FOR DELIVERING MOLECULES OF INTEREST UNIVERSITE DE STRASBOURG (FR) 2011-10-06 WO disclosed
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
EP-1123272-A1 (SUBSTITUTED)ACYL DIPEPTIDYL INHIBITORS OF THE ICE/CED-3 FAMILY OF CYSTEINE PROTEASES Idun Pharmaceuticals, Inc. (US) 2001-08-16 EP disclosed
US-6242422-B1 (Substituted)Acyl dipeptidyl inhibitors of the ice/ced-3 family of cysteine proteases IDUN PHARMACUETICALS, INC. 2001-06-05 US disclosed
EP-1091930-A1 C-TERMINAL MODIFIED OXAMYL DIPEPTIDES AS INHIBITORS OF THE ICE/ced-3 FAMILY OF CYSTEINE PROTEASES Idun Pharmaceuticals, Inc. (US) 2001-04-18 EP disclosed
US-6197750-B1 ENZYME INHIBITORS; ANTIINFLAMMATORY AGENTS IDUN PHARMACEUTICALS, INC. 2001-03-06 US disclosed
WO-2000023421-A1 (SUBSTITUTED)ACYL DIPEPTIDYL INHIBITORS OF THE ICE/ced-3 FAMILY OF CYSTEINE PROTEASES IDUN PHARMACEUTICALS, INC. (US) 2000-04-27 WO disclosed
WO-2000001666-A1 C-TERMINAL MODIFIED OXAMYL DIPEPTIDES AS INHIBITORS OF THE ICE/ced-3 FAMILY OF CYSTEINE PROTEASES IDUN PHARMACEUTICALS, INC. (US) 2000-01-13 WO disclosed
EP-0641770-B1 NOVEL COMPOUND WITH PLATELET AGGREGATION INHIBITOR ACTIVITY MEIJI SEIKA CO (JP) 1998-05-13 EP disclosed
US-5594004-A CARDIOVASCULAR DISORDERS AND ANTICOAGULANTS MEIJI SEIKA KABUSHIKI KAISHA (JP) 1997-01-14 US disclosed
EP-0641770-A1 NOVEL COMPOUND WITH PLATELET AGGREGATION INHIBITOR ACTIVITY MEIJI SEIKA KABUSHIKI KAISHA (JP) 1995-03-08 EP disclosed
US-4041076-A USEFUL IN PREPARING ANTIGENS; N-(2-(4-HYDROXYPHENYL)ETHYL)-2-(4-(2-AMINOPROPYL)-PHENOXY) ACETAMIDES HOFFMANN-LA ROCHE INC. (US) 1977-08-09 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 (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-20130096177-A1 POLYMERS FOR DELIVERING MOLECULES OF INTEREST PHAX, CD44, SNRPE PTPN1 1406/4885TBXA2R 4377/4885TBXAS1 2534/4885

“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.