SCHEMBL4548362

SCHEMBL4548362

CS(=O)(=O)c1cc(F)cc2c1c(C(=O)c1ccc(Cl)cc1)c1n2CCC[C@@H]1CC(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 16/20 1.00
PTGER1 P34995 2/20 1.00
PTGFR P43088 1/20 1.00
PTGER3 P43115 1/20 1.00
PTGER2 P43116 1/20 1.00
PTGDR2 Q9Y5Y4 1/20 1.00
PTGDR Q13258 5/20 0.59
PDE2A O00408 4/20 0.59

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
SCHEMBL5772139 0.95 TBXA2R (1.00) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL14621525 0.90 TBXA2R (0.81) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL5777754 0.87 TBXA2R (0.85) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL10312763 0.85 TBXA2R (0.74) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL6690976 0.84 TBXA2R (0.90) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL6731280 0.84 TBXA2R (0.81) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL5774875 0.81 TBXA2R (0.75) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL5775922 0.80 TBXA2R (1.00) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL990995 0.80 TBXA2R (0.73) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL5800203 0.79 TBXA2R (1.00) TBXA2RPTGDRPDE2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
US-9254293-B2 Methods and compositions for inhibiting or reducing hair loss, acne, rosacea, prostate cancer, and BPH THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2016-02-09 US disclosed
US-20120178750-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment MERCK SHARP & DOHME CORP. (US) 2012-07-12 US disclosed
US-8168649-B2 Niacin receptor agonists, compositions containing such compounds and methods of treatment Merk Sharp & Dohme Corp. (US) 2012-05-01 US disclosed
US-8168649-B2 Niacin receptor agonists, compositions containing such compounds and methods of treatment Merk Sharp & Dohme Corp. (US) 2012-05-01 US disclosed
US-20110118292-A1 METHOD OF TREATING ATHEROSCLEROSIS, DYSLIPIDEMIAS AND RELATED CONDITIONS CHENG KANG 2011-05-19 US disclosed
US-20110118292-A1 METHOD OF TREATING ATHEROSCLEROSIS, DYSLIPIDEMIAS AND RELATED CONDITIONS CHENG KANG 2011-05-19 US disclosed
EP-1901731-B1 NIACIN RECEPTOR AGONISTS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK SHARP & DOHME (US) 2011-03-02 EP disclosed
EP-2286816-A1 Method of treating atherosclerosis, dyslipidemias and related conditions MERCK SHARP & DOHME (I.A.) CORP. (US) 2011-02-23 EP disclosed
US-20070299122-A1 Method of Treating Pathological Blushing MERCK SHARP & DOHME CORP. 2007-12-27 US disclosed
US-20070299122-A1 Method of Treating Pathological Blushing MERCK SHARP & DOHME CORP. 2007-12-27 US disclosed
US-20070281969-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment MERCK SHARP & DOHME CORP. 2007-12-06 US disclosed
US-20070281969-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment MERCK SHARP & DOHME CORP. 2007-12-06 US disclosed
US-20070244107-A1 Method of Treating Atherosclerosis, Dyslipidemias and Related Conditions MERCK & CO., INC. 2007-10-18 US disclosed
US-20070244107-A1 Method of Treating Atherosclerosis, Dyslipidemias and Related Conditions MERCK & CO., INC. 2007-10-18 US disclosed
US-7241792-B2 Fused pyrazole derivatives and methods of treatment of metabolic-related disorders thereof ARENA PHARMACEUTICALS, INC. (US) 2007-07-10 US disclosed
US-7241792-B2 Fused pyrazole derivatives and methods of treatment of metabolic-related disorders thereof ARENA PHARMACEUTICALS, INC. (US) 2007-07-10 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
US-20070073062-A1 Fused pyrazole derivatives and methods of treatment of metabolic-related disorders thereof ARENA PHARMACEUTICALS, INC. 2007-03-29 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 TBXA2R 888/4885PTGER1 29/4885PTGFR 12/4885
US-20070299122-A1 Method of Treating Pathological Blushing BDKRB2, BDKRB1, PTGIR TBXA2R 9/4885PTGER1 15/4885PTGFR 109/4885
US-20070281969-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment GPR119, FFAR1, HCAR1 TBXA2R 53/4885PTGER1 258/4885PTGFR 932/4885
US-20070073062-A1 Fused pyrazole derivatives and methods of treatment of metabolic-related disorders thereof ACE, ACE2, AGTR2 TBXA2R 434/4885PTGER1 258/4885PTGFR 343/4885
US-20070244107-A1 Method of Treating Atherosclerosis, Dyslipidemias and Related Conditions LDLR, LIPA, APOB TBXA2R 68/4885PTGER1 81/4885PTGFR 125/4885
US-20110118292-A1 METHOD OF TREATING ATHEROSCLEROSIS, DYSLIPIDEMIAS AND RELATED CONDITIONS LDLR, HCAR1, FFAR1 TBXA2R 37/4885PTGER1 300/4885PTGFR 605/4885
US-20120178750-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment HCAR1, HCAR2, FFAR1 TBXA2R 56/4885PTGER1 171/4885PTGFR 854/4885

“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.