SCHEMBL3903129

SCHEMBL3903129

O=C(O)CCN1C=NC=CC1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EGLN3 Q9H6Z9 2/20 0.34
ESR1 P03372 1/20 0.32
MAPK1 P28482 2/20 0.32
GLA P06280 1/20 0.32
ACE P12821 1/20 0.31
FABP3 P05413 1/20 0.30
FABP4 P15090 1/20 0.30
FABP5 Q01469 1/20 0.30

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
SCHEMBL2599231 0.81 ALDH1A1 (0.31)
SCHEMBL5279383 0.73 ARG1 (0.43) GLA
SCHEMBL7389229 0.69 ALDH1A1 (0.34) EGLN3MAPK1GLAACEFABP3
SCHEMBL9740247 0.65 GLA (0.37) EGLN3ESR1MAPK1GLAFABP3
SCHEMBL6791494 0.65 GLA (0.39) EGLN3MAPK1GLAFABP3FABP4
SCHEMBL7723359 0.65 GLA (0.48) EGLN3MAPK1GLAACEFABP3
Hydrochloric Acid SCHEMBL11622681 0.64 GLA (0.40) EGLN3MAPK1GLAFABP3FABP4
Water SCHEMBL28143654 0.63 GLA (0.35) EGLN3MAPK1GLAFABP3FABP4
Water SCHEMBL28143655 0.63 GLA (0.35) EGLN3MAPK1GLAFABP3FABP4
SCHEMBL2113300 0.63 GLA (0.38) EGLN3MAPK1GLAFABP3FABP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1646383-A4 DESIGN AND SYNTHESIS OF OPTIMIZED LIGANDS FOR PPAR BETHESDA PHARMACEUTICALS INC (US) 2009-03-25 EP disclosed
US-7339065-B2 Design and synthesis of optimized ligands for PPAR BETHESDA PHARMACEUTICALS, INC. (US) 2008-03-04 US disclosed
US-20070099969-A1 Design and synthesis of optimized ligands for ppar THE UNIVERSITY OF MISSISSIPPI 2007-05-03 US disclosed
EP-1646383-A1 DESIGN AND SYNTHESIS OF OPTIMIZED LIGANDS FOR PPAR Bethesda Pharmaceuticals, Inc. (US) 2006-04-19 EP disclosed
WO-2005009437-A1 DESIGN AND SYNTHESIS OF OPTIMIZED LIGANDS FOR PPAR BETHESDA PHARMACEUTICALS, INC. (US) 2005-02-03 WO disclosed
EP-0752987-B1 PYRIMIDINYL DERIVATIVES AS INTERLEUKIN INHIBITORS VERTEX PHARMA (US) 2003-11-12 EP disclosed
WO-2002076177-A2 DESIGN AND SYNTHESIS OF OPTIMIZED LIGANDS FOR PPAR BETHESDA PHARMACEUTICALS, INC. (US) 2002-10-03 WO disclosed
US-6407080-B2 USED AS RESEARCH TOOLS IN PHARMACOLOGICAL, DIAGNOSTIC STUDIES AND TREATMENT OF DISEASES IN MAMMALS IN WHICH 1L-BETA-PROTEASE ACTIVITY IS IMPLICATED; ANTIINFLAMMATORY AGENT VERTEX PHARMACEUTICALS INCORPORATED 2002-06-18 US disclosed
US-20010003750-A1 N-(pyrimidinyl)-aspartic acid analogs as interleukin-1beta converting enzyme inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2001-06-14 US disclosed
US-6162800-A ENZYME INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2000-12-19 US disclosed
US-5670494-A N-(pyrimidinyl)-aspartic acid analogs as interleukin-1β converting enzyme inhibitors SANOFT 1997-09-23 US disclosed
EP-0752987-A4 PYRIMIDINYL DERIVATIVES AS INTERLEUKIN INHIBITORS SANOFI WINTHROP INC (US) 1997-04-09 EP disclosed
EP-0752987-A1 PYRIMIDINYL DERIVATIVES AS INTERLEUKIN INHIBITORS SANOFI WINTHROP, INC. (US) 1997-01-15 EP disclosed
WO-1995026958-A1 PYRIMIDINYL DERIVATIVES AS INTERLEUKIN INHIBITORS SANOFI WINTHROP, INC. (US) 1995-10-12 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 (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-20010003750-A1 N-(pyrimidinyl)-aspartic acid analogs as interleukin-1beta converting enzyme inhibitors IL1A, IL1B, IL1RN EGLN3 716/4885ESR1 3869/4885MAPK1 619/4885
US-20070099969-A1 Design and synthesis of optimized ligands for ppar PPARD, PPARA, PPARG EGLN3 2384/4885ESR1 1053/4885MAPK1 2841/4885

“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.