SCHEMBL198085

SCHEMBL198085

NCCc1cccc2c1oc1c(CCC(=O)O)cccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.46
SLC11A2 P49281 1/20 0.45
HMGB1 P09429 1/20 0.44
PTGER1 P34995 1/20 0.41
PTGER4 P35408 1/20 0.41
PTGER3 P43115 1/20 0.41
PTGER2 P43116 1/20 0.41
GLA P06280 1/20 0.41
STING1 Q86WV6 1/20 0.41
ALOX5 P09917 1/20 0.40
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
FFAR1 O14842 2/20 0.38
AKR1B1 P15121 1/20 0.38
KEAP1 Q14145 1/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
TDP1 Q9NUW8 2/20 0.37
POLB P06746 1/20 0.36

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
SCHEMBL30320123 1.00 PARP1 (0.46) PARP1SLC11A2HMGB1PTGER1PTGER4
SCHEMBL13990693 0.92 PARP1 (0.51) PARP1SLC11A2PTGER1PTGER4PTGER3
SCHEMBL1401562 0.91 PARP1 (0.46) PARP1SLC11A2PTGER1PTGER4PTGER3
SCHEMBL3860960 0.87 ALOX5 (0.42) PARP1SLC11A2HMGB1PTGER1PTGER4
SCHEMBL3860950 0.83 CYP1A2 (0.45) PARP1PTGER1PTGER4PTGER3PTGER2
SCHEMBL3798516 0.81 ALOX5 (0.57) PARP1PTGER1PTGER4PTGER3PTGER2
SCHEMBL26977479 0.81 F13A1 (0.47) PARP1SLC11A2GLASTING1MAPT
SCHEMBL26977641 0.79 F13A1 (0.50) GLASTING1MAPT
SCHEMBL14252816 0.79 CYP4F2 (0.57) PARP1GLASTING1HPGDCYP2C19
SCHEMBL198086 0.77 SLC11A2 (0.40) SLC11A2HMGB1PTGER4GLASTING1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019011879-A1 THERAPEUTIC FOR TREATING CAPILLARY LEAK SYNDROME HENNING RAINER (CH) 2019-01-17 WO claimed
US-8088890-B2 Peptides and peptidomimetic compounds, the manufacturing thereof as well as their use for preparing a therapeutically and/or preventively active pharmaceutical composition FIBREX MEDICAL RESEARCH & DEVELOPMENT GMBH (AT) 2012-01-03 US claimed
EP-2334324-A2 BBETA (15-42) AND ITS ANALOGUES COMBINED WITH CYCLOSPORINE FOR TREATMENT OF REPERFUSION INJURY Fibrex Medical Research & Development GmbH (AT) 2011-06-22 EP claimed
EP-2328925-A1 PEPTIDES AND PEPTIDOMIMETIC COMPOUNDS, THE MANUFACTURING THEREOF AS WELL AS THEIR USE FOR PREPARING A THERAPEUTICALLY AND/OR PREVENTIVELY ACTIVE PHARMACEUTICAL COMPOSITION Fibrex Medical Research & Development GmbH (AT) 2011-06-08 EP claimed
EP-2274328-A1 PEPTIDES, PEPTIDOMIMETICS AND DERIVATIVES THEREOF, THE MANUFACTURING THEREOF AS WELL AS THEIR USE FOR PREPARING A THERAPEUTICALLY AND/OR PREVENTIVELY ACTIVE PHARMACEUTICAL COMPOSITION Fibrex Medical Research & Development GmbH (AT) 2011-01-19 EP claimed
WO-2010043972-A2 PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE FOR THE PREVENTION AND TREATMENT OF HYPOXIC INJURY FIBREX MEDICAL RESEARCH & DEVELOPMENT GMBH (AT) 2010-04-22 WO claimed
WO-2010043444-A2 PHARMACEUTICAL PREPARATION FOR THE TREATMENT AND/OR PREVENTION OF ISCHEMIA/REPERFUSION INJURY AND THE SEQUELS THEREOF FIBREX MEDICAL RESEARCH & DEVELOPMENT GMBH (AT) 2010-04-22 WO claimed
WO-2010034041-A1 PEPTIDES AND PEPTIDOMIMETIC COMPOUNDS, THE MANUFACTURING THEREOF AS WELL AS THEIR USE FOR PREPARING A THERAPEUTICALLY AND/OR PREVENTIVELY ACTIVE PHARMACEUTICAL COMPOSITION FIBREX MEDICAL RESEARCH & DEVELOPMENT GMBH (AT) 2010-04-01 WO claimed
US-20100081787-A1 PEPTIDES AND PEPTIDOMIMETIC COMPOUNDS, THE MANUFACTURING THEREOF AS WELL AS THEIR USE FOR PREPARING A THERAPEUTICALLY AND/OR PREVENTIVELY ACTIVE PHARMACEUTICAL COMPOSITION FIBREX MEDICAL RESEARCH & DEVELOPMENT GMBH (AT) 2010-04-01 US claimed
WO-2009137850-A1 PEPTIDES, PEPTIDOMIMETICS AND DERIVATIVES THEREOF, THE MANUFACTURING THEREOF AS WELL AS THEIR USE FOR PREPARING A THERAPEUTICALLY AND/OR PREVENTIVELY ACTIVE PHARMACEUTICAL COMPOSITION FIBREX MEDICAL RESEARCH & DEVELOPMENT GMBH (AT) 2009-11-19 WO claimed
US-7410949-B2 Genetically engineered truncated analogs of significantly lower-molecular-weight and having equal or better potency, pharmacokinetic properties and pharmacological properties as existing Y2R agonists; also pegylated analogs; treating obesity; dietetics; metabolic disorders HOFFMANN-LA ROCHE INC. (US) 2008-08-12 US claimed
US-20070244041-A1 Peptide Yy Analogues REOSCIENCE A/S (DK) 2007-10-18 US claimed
EP-1718671-A2 PEPTIDE YY ANALOGUES Rheoscience A/S (DK) 2006-11-08 EP claimed
WO-2005080424-A2 PEPTIDE YY ANALOGUES RHEOSCIENCE A/S (DK) 2005-09-01 WO claimed
US-10406207-B2 Peptide conjugates of GLP-1 receptor agonists and gastrin and their use ZEALAND PHARMA A/S (DK) 2019-09-10 US disclosed
WO-2019011879-A1 THERAPEUTIC FOR TREATING CAPILLARY LEAK SYNDROME HENNING RAINER (CH) 2019-01-17 WO disclosed
US-20170281709-A1 PEPTIDE CONJUGATES OF GLP-1 RECEPTOR AGONISTS AND GASTRIN AND THEIR USE ZEALAND PHARMA A/S (DK) 2017-10-05 US disclosed
US-6057287-A KUNITZ DOMAIN HAVING DISULFIDE BONDS AT CYSTINE 5-55, 14-38, 30-51 POSITIONS DYAX CORP. (US) 2000-05-02 US disclosed
US-6034211-A β-sheet nucleating peptidomimetics KELLY JEFFERY W (US) 2000-03-07 US disclosed
WO-1997046547-A1 β-SHEET NUCLEATING PEPTIDOMIMETICS THE TEXAS A & M UNIVERSITY SYSTEM (US) 1997-12-11 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 (4 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-20170281709-A1 PEPTIDE CONJUGATES OF GLP-1 RECEPTOR AGONISTS AND GASTRIN AND THEIR USE GLP1R, GIPR, GRPR PARP1 2850/4885SLC11A2 1937/4885HMGB1 730/4885
US-10406207-B2 Peptide conjugates of GLP-1 receptor agonists and gastrin and their use GLP1R, GIPR, GRPR PARP1 2850/4885SLC11A2 1937/4885HMGB1 730/4885
US-20100081787-A1 PEPTIDES AND PEPTIDOMIMETIC COMPOUNDS, THE MANUFACTURING THEREOF AS WELL AS THEIR USE FOR PREPARING A THERAPEUTICALLY AND/OR PREVENTIVELY ACTIVE PHARMACEUTICAL COMPOSITION NGLY1, GHRHR, GHSR PARP1 3853/4885SLC11A2 1558/4885HMGB1 2250/4885
US-20070244041-A1 Peptide Yy Analogues NPY1R, NPY2R, NPY4R PARP1 3649/4885SLC11A2 3907/4885HMGB1 2230/4885

“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.