SCHEMBL588601

SCHEMBL588601

N[C@H](Cc1ccoc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 3/20 0.58
PTGS1 P23219 3/20 0.58
PKM P14618 2/20 0.58
ALPI P09923 1/20 0.58
XIAP P98170 1/20 0.58
SLC1A3 P43003 1/20 0.54
SLC1A2 P43004 1/20 0.54
SLC1A1 P43005 1/20 0.54
TPH1 P17752 2/20 0.53
ALOX15 P16050 3/20 0.50
HIF1A Q16665 3/20 0.50
HSD17B10 Q99714 2/20 0.50
KDM4E B2RXH2 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
ALOX5 P09917 1/20 0.50
USP2 O75604 1/20 0.50
EGFR P00533 1/20 0.50
LCK P06239 1/20 0.50
FYN P06241 1/20 0.50
ADORA3 P0DMS8 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
SCHEMBL537569 1.00 SLC7A5 (0.58) SLC7A5PTGS1PKMALPIXIAP
SCHEMBL537570 1.00 SLC7A5 (0.58) SLC7A5PTGS1PKMALPIXIAP
SCHEMBL10927828 0.85 ALOX5 (0.50) SLC7A5PTGS1PKMALPIXIAP
SCHEMBL7608944 0.82 SLC7A5 (0.56) SLC7A5PTGS1PKMALPIXIAP
SCHEMBL7608948 0.82 SLC7A5 (0.56) SLC7A5PTGS1PKMALPIXIAP
SCHEMBL6779373 0.78 SLC1A3 (0.44) SLC7A5PTGS1PKMALPIXIAP
SCHEMBL2310526 0.78 SLC7A5 (0.83) SLC7A5PTGS1PKMALPIXIAP
SCHEMBL2671472 0.76 CYP1A2 (0.46) PTGS1SLC1A3SLC1A2SLC1A1ALOX5
SCHEMBL9812650 0.76
SCHEMBL23159186 0.74 SLC7A5 (1.00) SLC7A5PTGS1PKMALPIXIAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9434764-B2 Skin care compositions and methods comprising selective agonists of melanocortin 1 receptor UNIVERSITY OF CINCINNATI (US) 2016-09-06 US claimed
US-20150299251-A1 Skin Care Compositions and Methods Comprising Selective Agonists of Melanocortin 1 Receptor UNIVERSITY OF CINCINNATI (US) 2015-10-22 US claimed
US-20150297667-A1 PHARMACEUTICAL COMPOSITIONS AND THERAPEUTIC METHODS OF USE COMPRISING SELECTIVE AGONISTS OF MELANOCORTIN 1 RECEPTOR NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-10-22 US claimed
EP-2925340-A2 PHARMACEUTICAL COMPOSITIONS AND THERAPEUTIC METHODS OF USE COMPRISING SELECTIVE AGONISTS OF MELANOCORTIN 1 RECEPTOR University Of Cincinnati (US) 2015-10-07 EP claimed
EP-2922565-A2 SKIN CARE COMPOSITIONS AND METHODS COMPRISING SELECTIVE AGONISTS OF MELANOCORTIN 1 RECEPTOR University Of Cincinnati (US) 2015-09-30 EP claimed
WO-2014081846-A2 PHARMACEUTICAL COMPOSITIONS AND THERAPEUTIC METHODS OF USE COMPRISING SELECTIVE AGONISTS OF MELANOCORTIN 1 RECEPTOR UNIVERSITY OF CINCINNATI (US) 2014-05-30 WO claimed
WO-2014081845-A2 SKIN CARE COMPOSITIONS AND METHODS COMPRISING SELECTIVE AGONISTS OF MELANOCORTIN 1 RECEPTOR UNIVERSITY OF CINCINNATI (US) 2014-05-30 WO claimed
EP-2922565-B1 SKIN CARE COMPOSITIONS AND METHODS COMPRISING SELECTIVE AGONISTS OF MELANOCORTIN 1 RECEPTOR UNIV CINCINNATI (US) 2019-11-13 EP disclosed
US-10301355-B2 Method of using pharmaceutical compositions comprising selective peptide-based agonists of melanocortin 1 receptor UNIVERSITY OF CINCINNATI (US) 2019-05-28 US disclosed
EP-2925340-B1 PHARMACEUTICAL COMPOSITIONS COMPRISING SELECTIVE AGONISTS OF MELANOCORTIN 1 RECEPTOR AND THEIR USE IN THERAPEUTIC METHODS UNIV CINCINNATI (US) 2019-05-08 EP disclosed
US-20180066016-A1 Pharmaceutical Compositions and Therapeutic Methods of Use Comprising Selective Agonists of Melanocortin 1 Receptor NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-03-08 US disclosed
US-9834580-B2 Pharmaceutical compositions comprising selective peptide-based agonists of melanocortin 1 receptor UNIVERSITY OF CINCINNATI (US) 2017-12-05 US disclosed
US-9434764-B2 Skin care compositions and methods comprising selective agonists of melanocortin 1 receptor UNIVERSITY OF CINCINNATI (US) 2016-09-06 US disclosed
US-8604039-B2 Dihydrothienopyrimidines for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-12-10 US disclosed
EP-2010185-B1 DIHYDROTHIENOPYRIMIDINE FOR TREATING INFLAMMATORY DISORDERS BOEHRINGER INGELHEIM INT (DE) 2012-06-13 EP disclosed
US-20120108534-A1 Dihydrothienopyrimidines for the treatment of inflammatory Diseases POUZET PASCALE (US) 2012-05-03 US disclosed
US-8114878-B2 6,7-dihydrothieno[3,2-d]pyrimidine for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-14 US disclosed
EP-2010185-A1 DIHYDROTHIENOPYRIMIDINE FOR TREATING INFLAMMATORY DISORDERS Boehringer Ingelheim International GmbH (DE) 2009-01-07 EP disclosed
US-20080096882-A1 PDE4 (Phosphodiesterase) inhibitors; respiratory diseases, gastrointestinal diseases, inflammation the joints, skin or eyes, cancers, or diseases of the peripheral or central nervous system BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-04-24 US disclosed
WO-2007118793-A1 DIHYDROTHIENOPYRIMIDINE FOR TREATING INFLAMMATORY DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-25 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-20080096882-A1 PDE4 (Phosphodiesterase) inhibitors; respiratory diseases, gastrointestinal diseases, inflammation the joints, skin or eyes, cancers, or diseases of the peripheral or central nervous system PDE4A, PDE4B, PDE12 SLC7A5 3963/4885PTGS1 72/4885PKM 741/4885
US-20120108534-A1 Dihydrothienopyrimidines for the treatment of inflammatory Diseases DPYD, DHFR, TPMT SLC7A5 2162/4885PTGS1 72/4885PKM 1630/4885

“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.