SCHEMBL4430774

SCHEMBL4430774

O=C(O)C(=O)Nc1ccccc1Oc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.64
L3MBTL1 Q9Y468 5/20 0.62
GAA P10253 3/20 0.62
PKM P14618 1/20 0.62
POLB P06746 2/20 0.59
LMNA P02545 2/20 0.59
TDP1 Q9NUW8 2/20 0.59
ATM Q13315 2/20 0.57
TSHR P16473 3/20 0.56
MAPK1 P28482 1/20 0.56
RAB9A P51151 1/20 0.55
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
ALDH1A1 P00352 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
RECQL P46063 1/20 0.51

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
SCHEMBL18415528 0.93 ADRA2C (0.68) ADRA2CL3MBTL1GAAPKMPOLB
SCHEMBL11447737 0.88 ADRA2C (0.51) ADRA2CL3MBTL1GAAPKMPOLB
SCHEMBL18415457 0.86 ADRA2C (0.60) ADRA2CL3MBTL1GAAPKMPOLB
SCHEMBL10784048 0.85 ADRA2C (0.68) ADRA2CL3MBTL1GAAPKMPOLB
SCHEMBL12907085 0.85 P2RY1 (0.54) ADRA2CL3MBTL1GAAPKMPOLB
SCHEMBL7974632 0.84 GPR35 (0.50) ADRA2CL3MBTL1GAAPKMPOLB
SCHEMBL3826083 0.84 ADRA2C (0.71) ADRA2CL3MBTL1GAAPKMPOLB
SCHEMBL29757946 0.84 ADRA2C (0.71) ADRA2CL3MBTL1GAAPKMPOLB
SCHEMBL30327328 0.82 ADRA2C (0.64) ADRA2CL3MBTL1GAAPKMPOLB
SCHEMBL10027978 0.82 ADRA2C (0.79) ADRA2CL3MBTL1GAAPKMPOLB

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 31 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
EP-1268404-B1 MALONAMIC ACIDS AND DERIVATIVES THEREOF AS THYROID RECEPTOR LIGANDS PFIZER PROD INC (US) 2008-01-02 EP disclosed
US-20070173548-A1 Malonamic acids and derivatives thereof as thyroid receptor ligands CHIANG YUAN-CHING P 2007-07-26 US disclosed
US-7202275-B2 Malonamic acids and derivatives thereof as thyroid receptor ligands WARNER LAMBERT COMPANY LLC (US) 2007-04-10 US 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
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
EP-1297833-B1 Indole carboxylic acids as thyroid receptor ligands PFIZER PROD INC (US) 2005-12-21 EP disclosed
US-20050209333-A1 Malonamic acids and derivatives thereof as thyroid receptor ligands CHIANG YUAN-CHING P 2005-09-22 US disclosed
EP-1268404-A1 MALONAMIC ACIDS AND DERIVATIVES THEREOF AS THYROID RECEPTOR LIGANDS Pfizer Products Inc. (US) 2003-01-02 EP disclosed
WO-2002057298-A2 C-TERMINAL MODIFIED OXAMYL DIPEPTIDES AS INHIBITORS OF THE ICE/CED-3 FAMILY OF CYSTEINE PROTEASES IDUN PHARMACEUTICALS, INC. (US) 2002-07-25 WO disclosed
US-20020042376-A1 C-terminal modified oxamyl dipeptides as inhibitors of the ICE-ced-3 family of cysteine proteases CONATUS PHARMACEUTICALS, INC. 2002-04-11 US disclosed
US-20020028774-A1 C-terminal modified oxamyl dipeptides as inhibitors of the ICE/ced-3 family of cysteine proteases CONATUS PHARMACEUTICALS, INC. 2002-03-07 US disclosed
US-20010051657-A1 Malonamic acids and derivatives thereof as thyroid receptor ligands PFIZER INC. 2001-12-13 US disclosed
WO-2001072692-A1 MALONAMIC ACIDS AND DERIVATIVES THEREOF AS THYROID RECEPTOR LIGANDS PFIZER PRODUCTS INC. (US) 2001-10-04 WO disclosed
CN-1313846-A C-terminal modified oxamyl dipeptides as inhibitors of the ICE/ced-3 family of cystenine proteases IDUN PHARMACEUTICALS INC (US) 2001-09-19 CN 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-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

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-20020028774-A1 C-terminal modified oxamyl dipeptides as inhibitors of the ICE/ced-3 family of cysteine proteases CASP3, DPP3, IAPP ADRA2C 4872/4885L3MBTL1 578/4885GAA 2523/4885
US-20070173548-A1 Malonamic acids and derivatives thereof as thyroid receptor ligands THRA, MC1R, TSHR ADRA2C 1598/4885L3MBTL1 1440/4885GAA 521/4885
US-20050209333-A1 Malonamic acids and derivatives thereof as thyroid receptor ligands THRA, MC1R, TSHR ADRA2C 1598/4885L3MBTL1 1440/4885GAA 521/4885
US-20020042376-A1 C-terminal modified oxamyl dipeptides as inhibitors of the ICE-ced-3 family of cysteine proteases CASP3, IAPP, DPP3 ADRA2C 4872/4885L3MBTL1 557/4885GAA 2490/4885
US-20010051657-A1 Malonamic acids and derivatives thereof as thyroid receptor ligands THRA, MC1R, THRB ADRA2C 1705/4885L3MBTL1 1241/4885GAA 649/4885

“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.