SCHEMBL13344157

SCHEMBL13344157

Cc1ccc(Cn2c3c(c4cc(F)cc(S(C)(=O)=O)c42)CC[C@@H]3CC(=O)O)cc1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 14/20 0.86
TBXA2R P21731 12/20 0.86
PTGER2 P43116 4/20 0.86
PTGER3 P43115 3/20 0.86
PTGIR P43119 3/20 0.86
PTGER1 P34995 2/20 0.86
PTGFR P43088 2/20 0.86
PDE4A P27815 1/20 0.86
TSPO P30536 1/20 0.86
DRD3 P35462 1/20 0.86
PDE4D Q08499 1/20 0.86
PTGDR2 Q9Y5Y4 1/20 0.86
PDE2A O00408 7/20 0.78
MEN1 O00255 1/20 0.66
ALDH1A1 P00352 1/20 0.66
CYP3A4 P08684 1/20 0.66
MAPT P10636 1/20 0.66
CYP2C9 P11712 1/20 0.66
HPGD P15428 1/20 0.66
MAPK1 P28482 1/20 0.66

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
SCHEMBL13344139 1.00 PTGDR (0.86) PTGDRTBXA2RPTGER2PTGER3PTGIR
Laropiprant SCHEMBL29612617 0.93 PTGDR (1.00) PTGDRTBXA2RPTGER2PTGER3PTGIR
Diastereomer 2 SCHEMBL32668949 0.93 PTGDR (1.00) PTGDRTBXA2RPTGER2PTGER3PTGIR
Diastereomer 2 SCHEMBL1044552 0.93 PTGDR (1.00) PTGDRTBXA2RPTGER2PTGER3PTGIR
Laropiprant SCHEMBL991107 0.93 PTGDR (1.00) PTGDRTBXA2RPTGER2PTGER3PTGIR
SCHEMBL991121 0.88 PTGDR (1.00) PTGDRTBXA2RPTGER2PTGER3PTGIR
SCHEMBL4548354 0.88 PTGDR (1.00) PTGDRTBXA2RPTGER2PTGER3PTGIR
SCHEMBL14472807 0.87 PTGDR (0.85) PTGDRTBXA2RPTGER2PTGER3PTGIR
SCHEMBL19799336 0.85 PTGDR (0.86) PTGDRTBXA2RPTGER2PTGER3PTGIR
SCHEMBL14318712 0.84 PTGDR (0.65) PTGDRTBXA2RPTGER2PTGER3PTGIR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230330062-A1 PTGDR-1 AND/OR PTGDR-2 ANTAGONISTS FOR PREVENTING AND/OR TREATING SYSTEMIC LUPUS ERYTHEMATOSUS INST NAT SANTE RECH MED (FR) 2023-10-19 US disclosed
US-20180021302-A1 PTGDR-1 AND/OR PTGDR-2 ANTAGONISTS FOR PREVENTING AND/OR TREATING SYSTEMIC LUPUS ERYTHEMATOSUS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2018-01-25 US disclosed
US-9180114-B2 Neurodegenerative diseases and methods of modeling PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-11-10 US disclosed
US-20100130574-A1 NEURODEGENERATIVE DISEASES AND METHODS OF MODELING PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2010-05-27 US disclosed
US-7317036-B2 Fluoro substituted cycloalkanoindoles, compositions containing such compounds and methods of treatment MERCK FROSST CANADA & CO. (CA) 2008-01-08 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 (3 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-20100130574-A1 NEURODEGENERATIVE DISEASES AND METHODS OF MODELING SMN1; SMN2, PTGDR2, PTGER1 PTGDR 5/4885TBXA2R 106/4885PTGER2 12/4885
US-20180021302-A1 PTGDR-1 AND/OR PTGDR-2 ANTAGONISTS FOR PREVENTING AND/OR TREATING SYSTEMIC LUPUS ERYTHEMATOSUS PTGDR, PTGDR2, PTGIR PTGDR 1/4885TBXA2R 10/4885PTGER2 9/4885
US-20230330062-A1 PTGDR-1 AND/OR PTGDR-2 ANTAGONISTS FOR PREVENTING AND/OR TREATING SYSTEMIC LUPUS ERYTHEMATOSUS PTGDR2, PTGDR, PTGIR PTGDR 2/4885TBXA2R 10/4885PTGER2 9/4885

“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.