SCHEMBL991121

SCHEMBL991121

CS(=O)(=O)c1cc(F)cc2c3c(n(Cc4ccc(Cl)cc4)c12)C(CC(=O)O)CCC3

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 12/20 1.00
PDE2A O00408 10/20 1.00
TBXA2R P21731 9/20 1.00
PDE4A P27815 1/20 0.90
TSPO P30536 1/20 0.90
PTGER1 P34995 1/20 0.90
DRD3 P35462 1/20 0.90
PTGFR P43088 1/20 0.90
PTGER3 P43115 1/20 0.90
PTGER2 P43116 1/20 0.90
PTGIR P43119 1/20 0.90
PDE4D Q08499 1/20 0.90
PTGDR2 Q9Y5Y4 1/20 0.90
MEN1 O00255 1/20 0.74
ALDH1A1 P00352 1/20 0.74
CYP3A4 P08684 1/20 0.74
MAPT P10636 1/20 0.74
CYP2C9 P11712 1/20 0.74
HPGD P15428 1/20 0.74
MAPK1 P28482 1/20 0.74

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
SCHEMBL4548354 1.00 PTGDR (1.00) PTGDRPDE2ATBXA2RPDE4ATSPO
Laropiprant SCHEMBL29612617 0.95 PTGDR (1.00) PTGDRPDE2ATBXA2RPDE4ATSPO
Diastereomer 2 SCHEMBL32668949 0.95 PTGDR (1.00) PTGDRPDE2ATBXA2RPDE4ATSPO
Laropiprant SCHEMBL991107 0.95 PTGDR (1.00) PTGDRPDE2ATBXA2RPDE4ATSPO
Diastereomer 2 SCHEMBL1044552 0.95 PTGDR (1.00) PTGDRPDE2ATBXA2RPDE4ATSPO
SCHEMBL4458417 0.92 PTGDR (0.86) PTGDRPDE2ATBXA2RPDE4ATSPO
SCHEMBL14472807 0.92 PTGDR (0.85) PTGDRPDE2ATBXA2RPDE4ATSPO
SCHEMBL19799336 0.88 PTGDR (0.86) PTGDRPDE2ATBXA2RPDE4ATSPO
SCHEMBL13344157 0.88 PTGDR (0.86) PTGDRPDE2ATBXA2RPDE4ATSPO
SCHEMBL13344139 0.88 PTGDR (0.86) PTGDRPDE2ATBXA2RPDE4ATSPO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080033028-A1 Fluoro substituted cycloalkanoindoles, compositions containing such compounds and methods of treatment BERTHELETTE CARL 2008-02-07 US claimed
US-20060069148-A1 Fluoro substituted cycloalkanoindoles, compositions containing such compounds and methods of treatment BERTHELETTE CARL 2006-03-30 US claimed
US-20050124680-A1 Fluoro substituted cycloalkanoindoles, compositions containing such compounds and methods of treatment MERCK CANADA INC. (CA) 2005-06-09 US claimed
EP-1470107-A2 FLUORO SUBSTITUTED CYCLOALKANOINDOLES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS Merck Frosst Canada & Co. (CA) 2004-10-27 EP claimed
US-20030158246-A1 For the treatment of prostaglandin mediated diseases, such as allergic asthma or rhinitis. MERCK FROSST CANADA & CO. (CA) 2003-08-21 US claimed
WO-2003062200-A2 FLUORO SUBSTITUTED CYCLOALKANOINDOLES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS MERCK FROSST CANADA & CO. (CA) 2003-07-31 WO claimed
US-10849841-B2 Methods and compositions for inhibiting or reducing hair loss, acne, rosacea, prostate cancer, and BPH THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2020-12-01 US disclosed
US-10849841-B2 Methods and compositions for inhibiting or reducing hair loss, acne, rosacea, prostate cancer, and BPH THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2020-12-01 US disclosed
US-9889082-B2 Methods and compositions for inhibiting or reducing hair loss, acne, rosacea, prostate cancer, and BPH THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2018-02-13 US disclosed
US-9889082-B2 Methods and compositions for inhibiting or reducing hair loss, acne, rosacea, prostate cancer, and BPH THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2018-02-13 US disclosed
US-9889082-B2 Methods and compositions for inhibiting or reducing hair loss, acne, rosacea, prostate cancer, and BPH THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2018-02-13 US disclosed
EP-3175856-A1 METHODS AND COMPOSITIONS FOR INHIBITING OR REDUCING HAIR LOSS The Trustees of the University of Pennsylvania (US) 2017-06-07 EP disclosed
EP-2037967-B1 PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS FOR TREATING ANDROGENETIC ALOPECIA UNIV PENNSYLVANIA (US) 2016-12-07 EP disclosed
US-20070073062-A1 Fused pyrazole derivatives and methods of treatment of metabolic-related disorders thereof ARENA PHARMACEUTICALS, INC. 2007-03-29 US disclosed
US-20070073062-A1 Fused pyrazole derivatives and methods of treatment of metabolic-related disorders thereof ARENA PHARMACEUTICALS, INC. 2007-03-29 US disclosed
WO-2007035478-A2 NIACIN RECEPTOR AGONISTS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK & CO., INC. (US) 2007-03-29 WO disclosed
WO-2007027532-A2 NIACIN RECEPTOR AGONISTS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK & CO., INC. (US) 2007-03-08 WO disclosed
EP-1470107-A2 FLUORO SUBSTITUTED CYCLOALKANOINDOLES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS Merck Frosst Canada & Co. (CA) 2004-10-27 EP disclosed
US-20030158246-A1 For the treatment of prostaglandin mediated diseases, such as allergic asthma or rhinitis. MERCK FROSST CANADA & CO. (CA) 2003-08-21 US disclosed
WO-2003062200-A2 FLUORO SUBSTITUTED CYCLOALKANOINDOLES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS MERCK FROSST CANADA & CO. (CA) 2003-07-31 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 (6 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-20060069148-A1 Fluoro substituted cycloalkanoindoles, compositions containing such compounds and methods of treatment PTGER1, PTGER3, PTGER2 PTGDR 7/4885PDE2A 463/4885TBXA2R 17/4885
US-20030158246-A1 For the treatment of prostaglandin mediated diseases, such as allergic asthma or rhinitis. PTGES, PTGIR, PTGER1 PTGDR 14/4885PDE2A 362/4885TBXA2R 25/4885
US-20050124680-A1 Fluoro substituted cycloalkanoindoles, compositions containing such compounds and methods of treatment PTGER1, PTGER3, PTGER2 PTGDR 7/4885PDE2A 463/4885TBXA2R 17/4885
US-20080033028-A1 Fluoro substituted cycloalkanoindoles, compositions containing such compounds and methods of treatment PTGER1, PTGER3, PTGER2 PTGDR 7/4885PDE2A 463/4885TBXA2R 17/4885
US-10849841-B2 Methods and compositions for inhibiting or reducing hair loss, acne, rosacea, prostate cancer, and BPH AR, BPHL, PTGS2 PTGDR 10/4885PDE2A 558/4885TBXA2R 888/4885
US-20070073062-A1 Fused pyrazole derivatives and methods of treatment of metabolic-related disorders thereof ACE, ACE2, AGTR2 PTGDR 509/4885PDE2A 706/4885TBXA2R 434/4885

“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.