SCHEMBL5599509

SCHEMBL5599509

COCc1cc(C(=O)O)n[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 14/20 1.00
HCAR3 P49019 3/20 0.60
DAO P14920 1/20 0.58

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
SCHEMBL5599447 0.86 HCAR2 (0.75) HCAR2HCAR3DAO
SCHEMBL5600077 0.84 HCAR2 (1.00) HCAR2HCAR3DAO
SCHEMBL5600689 0.83 HCAR2 (0.71) HCAR2HCAR3DAO
SCHEMBL5599955 0.82 HCAR2 (0.82) HCAR2HCAR3DAO
SCHEMBL3954952 0.81 HCAR2 (1.00) HCAR2HCAR3DAO
SCHEMBL21607841 0.80 HCAR2 (0.66) HCAR2HCAR3
SCHEMBL5600933 0.80 HCAR2 (0.66) HCAR2HCAR3DAO
SCHEMBL5599320 0.79 HCAR2 (1.00) HCAR2HCAR3DAO
SCHEMBL1149631 0.78 HCAR2 (0.64) HCAR2HCAR3
SCHEMBL3999370 0.78 HCAR2 (1.00) HCAR2HCAR3DAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070032537-A1 5-Substituted 2h-pyrazole-3-carboxylic acid derivatives as agonists for the acid receptor rup25 for the treatment of dyslipidemia and related diseases ARENA PHARMACEUTICALS, INC. (US) 2007-02-08 US claimed
US-10568867-B2 Compounds and pharmaceutical compositions thereof for the treatment of cystic fibrosis GALAPAGOS NV (BE) 2020-02-25 US disclosed
EP-3486246-A1 THIENO[2,3-C]PYRANS AS CFTR MODULATORS Galapagos N.V. (BE) 2019-05-22 EP disclosed
US-20180221334-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF CYSTIC FIBROSIS GILEAD SCIENCES, INC. 2018-08-09 US disclosed
US-20180221334-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF CYSTIC FIBROSIS GILEAD SCIENCES, INC. 2018-08-09 US disclosed
US-9895347-B2 Compounds and pharmaceutical compositions thereof for the treatment of cystic fibrosis GALAPAGOS NV (BE) 2018-02-20 US disclosed
US-9895347-B2 Compounds and pharmaceutical compositions thereof for the treatment of cystic fibrosis GALAPAGOS NV (BE) 2018-02-20 US disclosed
US-20160317493-A1 Novel Compounds and Pharmaceutical Compositions Thereof for the Treatment of Cystic Fibrosis GILEAD SCIENCES, INC. 2016-11-03 US disclosed
US-20160317493-A1 Novel Compounds and Pharmaceutical Compositions Thereof for the Treatment of Cystic Fibrosis GILEAD SCIENCES, INC. 2016-11-03 US disclosed
US-9351955-B2 Compounds and pharmaceutical compositions thereof for the treatment of cystic fibrosis GALAPAGOS NV (BE) 2016-05-31 US disclosed
US-20160022633-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF CYSTIC FIBROSIS GILEAD SCIENCES, INC. 2016-01-28 US disclosed
US-20160022633-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF CYSTIC FIBROSIS GILEAD SCIENCES, INC. 2016-01-28 US disclosed
US-9133210-B2 Compounds and pharmaceutical compositions thereof for the treatment of cystic fibrosis GALAPAGOS NV (BE) 2015-09-15 US disclosed
US-9133210-B2 Compounds and pharmaceutical compositions thereof for the treatment of cystic fibrosis GALAPAGOS NV (BE) 2015-09-15 US disclosed
US-20150045327-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF CYSTIC FIBROSIS GILEAD SCIENCES, INC. 2015-02-12 US disclosed
US-20150045327-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF CYSTIC FIBROSIS GILEAD SCIENCES, INC. 2015-02-12 US disclosed
WO-2015018823-A1 THIENO[2,3-C]PYRANS AS CFTR MODULATORS GALAPAGOS NV (BE) 2015-02-12 WO disclosed
US-20070032537-A1 5-Substituted 2h-pyrazole-3-carboxylic acid derivatives as agonists for the acid receptor rup25 for the treatment of dyslipidemia and related diseases ARENA PHARMACEUTICALS, INC. (US) 2007-02-08 US disclosed
US-20070032537-A1 5-Substituted 2h-pyrazole-3-carboxylic acid derivatives as agonists for the acid receptor rup25 for the treatment of dyslipidemia and related diseases ARENA PHARMACEUTICALS, INC. (US) 2007-02-08 US disclosed
US-20070032537-A1 5-Substituted 2h-pyrazole-3-carboxylic acid derivatives as agonists for the acid receptor rup25 for the treatment of dyslipidemia and related diseases ARENA PHARMACEUTICALS, INC. (US) 2007-02-08 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 (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-10568867-B2 Compounds and pharmaceutical compositions thereof for the treatment of cystic fibrosis CFTR, ABCB11, PKD1 HCAR2 1995/4885HCAR3 1160/4885DAO 3496/4885
US-20070032537-A1 5-Substituted 2h-pyrazole-3-carboxylic acid derivatives as agonists for the acid receptor rup25 for the treatment of dyslipidemia and related diseases ACE, AGTR2, ACE2 HCAR2 52/4885HCAR3 150/4885DAO 2261/4885
US-20180221334-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, ABCB11, ABCC5 HCAR2 1890/4885HCAR3 1125/4885DAO 3619/4885
US-20160022633-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, ABCB11, ABCC5 HCAR2 1890/4885HCAR3 1125/4885DAO 3619/4885
US-20160317493-A1 Novel Compounds and Pharmaceutical Compositions Thereof for the Treatment of Cystic Fibrosis CFTR, ABCB11, ABCC5 HCAR2 1890/4885HCAR3 1125/4885DAO 3619/4885
US-20150045327-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, ABCB11, ABCC5 HCAR2 1890/4885HCAR3 1125/4885DAO 3619/4885

“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.