SCHEMBL1043387

SCHEMBL1043387

CC(c1ccc(Cl)cc1)n1c2c(c3cc(F)cc(S(C)(=O)=O)c31)CCC2CC(=O)O

nearest known ligand 0.90

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 20/20 0.90
TBXA2R P21731 15/20 0.90
PDE2A O00408 4/20 0.90
PTGER1 P34995 2/20 0.74
PTGFR P43088 2/20 0.74
PTGER3 P43115 2/20 0.74
PTGER2 P43116 2/20 0.74
PTGIR P43119 2/20 0.74
PTGER4 P35408 1/20 0.74
PDE4A P27815 1/20 0.71
TSPO P30536 1/20 0.71
DRD3 P35462 1/20 0.71
PDE4D Q08499 1/20 0.71
PTGDR2 Q9Y5Y4 1/20 0.71

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
SCHEMBL20531485 1.00 PTGDR (0.90) PTGDRTBXA2RPDE2APTGER1PTGFR
SCHEMBL5421906 1.00 PTGDR (0.90) PTGDRTBXA2RPDE2APTGER1PTGFR
SCHEMBL6521839 0.95 PTGDR (1.00) PTGDRTBXA2RPDE2APTGER1PTGFR
SCHEMBL1255195 0.95 PTGDR (1.00) PTGDRTBXA2RPDE2APTGER1PTGFR
SCHEMBL20531411 0.95 PTGDR (1.00) PTGDRTBXA2RPDE2APTGER1PTGFR
SCHEMBL5824247 0.95 PTGDR (1.00) PTGDRTBXA2RPDE2APTGER1PTGFR
SCHEMBL1255151 0.95 PTGDR (1.00) PTGDRTBXA2RPDE2APTGER1PTGFR
SCHEMBL14562375 0.90 PTGDR (0.91) PTGDRTBXA2RPDE2APTGER1PTGFR
SCHEMBL14562377 0.90 PTGDR (0.91) PTGDRTBXA2RPDE2APTGER1PTGFR
SCHEMBL990414 0.90 PTGDR (1.00) PTGDRTBXA2RPDE2APTGER1PTGFR

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 85 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
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
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-20160346186-A1 METHODS AND COMPOSITIONS FOR INHIBITING OR REDUCING HAIR LOSS, ACNE, ROSACEA, PROSTATE CANCER, AND BPH THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2016-12-01 US disclosed
WO-2007075749-A2 NIACIN RECEPTOR AGONISTS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK & CO., INC. (US) 2007-07-05 WO 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
WO-2007002557-A1 NIACIN RECEPTOR AGONISTS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK & CO., INC. (US) 2007-01-04 WO disclosed
WO-2006089309-A2 METHOD OF TREATING ATHEROSCLEROSIS, DYSLIPIDEMIAS AND RELATED CONDITIONS MERCK & CO., INC. (US) 2006-08-24 WO 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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-20160346186-A1 METHODS AND COMPOSITIONS FOR INHIBITING OR REDUCING HAIR LOSS, ACNE, ROSACEA, PROSTATE CANCER, AND BPH AR, BPHL, PTGS2 PTGDR 10/4885TBXA2R 888/4885PDE2A 558/4885
US-20060069148-A1 Fluoro substituted cycloalkanoindoles, compositions containing such compounds and methods of treatment PTGER1, PTGER3, PTGER2 PTGDR 7/4885TBXA2R 17/4885PDE2A 463/4885
US-20030158246-A1 For the treatment of prostaglandin mediated diseases, such as allergic asthma or rhinitis. PTGES, PTGIR, PTGER1 PTGDR 14/4885TBXA2R 25/4885PDE2A 362/4885
US-20050124680-A1 Fluoro substituted cycloalkanoindoles, compositions containing such compounds and methods of treatment PTGER1, PTGER3, PTGER2 PTGDR 7/4885TBXA2R 17/4885PDE2A 463/4885
US-20080033028-A1 Fluoro substituted cycloalkanoindoles, compositions containing such compounds and methods of treatment PTGER1, PTGER3, PTGER2 PTGDR 7/4885TBXA2R 17/4885PDE2A 463/4885
US-10849841-B2 Methods and compositions for inhibiting or reducing hair loss, acne, rosacea, prostate cancer, and BPH AR, BPHL, PTGS2 PTGDR 10/4885TBXA2R 888/4885PDE2A 558/4885
US-20070073062-A1 Fused pyrazole derivatives and methods of treatment of metabolic-related disorders thereof ACE, ACE2, AGTR2 PTGDR 509/4885TBXA2R 434/4885PDE2A 706/4885

“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.