SCHEMBL16445300

SCHEMBL16445300

COCCOc1cc(C(=O)O)n[nH]1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HCAR2 Q8TDS4 15/20 0.60
▸ DAO P14920 1/20 0.47
▸ HCAR3 P49019 3/20 0.44
▸ CYTH3 O43739 1/20 0.44
▸ BTK Q06187 1/20 0.44
▸ EPN1 Q9Y6I3 1/20 0.44

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
SCHEMBL15467909 0.81 HCAR2 (0.56) HCAR2DAOHCAR3CYTH3BTK
SCHEMBL5317023 0.79 HCAR2 (0.58) HCAR2DAOHCAR3CYTH3BTK
SCHEMBL5600077 0.75 HCAR2 (1.00) HCAR2DAOHCAR3CYTH3BTK
SCHEMBL28111052 0.74 HCAR2 (0.45) HCAR2DAOHCAR3CYTH3BTK
SCHEMBL31532699 0.74 TSHR (0.35) HCAR2
SCHEMBL5599955 0.73 HCAR2 (0.82) HCAR2DAOHCAR3
SCHEMBL1396112 0.73 DYRK1A (0.38) HCAR2
SCHEMBL5599509 0.73 HCAR2 (1.00) HCAR2DAOHCAR3
SCHEMBL4517538 0.72 MAPK1 (0.53) HCAR2HCAR3
SCHEMBL26926713 0.71 HCAR2 (0.38) HCAR2DAOHCAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10568867-B2 Compounds and pharmaceutical compositions thereof for the treatment of cystic fibrosis GALAPAGOS NV (BE) 2020-02-25 — — US claimed
US-20190202823-A1 N-SULFONYLATED PYRAZOLO[3,4-b]PYRIDIN-6-CARBOXAMIDES AND METHOD OF USE ABBVIE SARL (LU) 2019-07-04 — — US claimed
EP-3486246-A1 THIENO[2,3-C]PYRANS AS CFTR MODULATORS Galapagos N.V. (BE) 2019-05-22 — — EP claimed
US-10259810-B2 N-sulfonylated pyrazolo[3,4-b]pyridin-6-carboxamides and method of use AbbVie S.à.r.l. (LU) 2019-04-16 — — US claimed
US-20190055229-A1 Heteroaryl Substituted Pyridines and Methods of Use ABBVIE S.Á.R.L. (LU) 2019-02-21 — — US claimed
EP-3030568-B1 THIENO[2,3-C]PYRANS AS CFTR MODULATORS GALAPAGOS NV (BE) 2018-09-19 — — EP claimed
US-20180221334-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF CYSTIC FIBROSIS GILEAD SCIENCES, INC. 2018-08-09 — — US claimed
US-20180105522-A1 N-SULFONYLATED PYRAZOLO[3,4-b]PYRIDIN-6-CARBOXAMIDES AND METHOD OF USE GALAPAGOS SASU (FR) 2018-04-19 — — US claimed
US-20160317493-A1 Novel Compounds and Pharmaceutical Compositions Thereof for the Treatment of Cystic Fibrosis GILEAD SCIENCES, INC. 2016-11-03 — — US claimed
EP-3030568-A1 THIENO[2,3-C]PYRANS AS CFTR MODULATORS Galapagos NV (BE) 2016-06-15 — — EP claimed
US-9351955-B2 Compounds and pharmaceutical compositions thereof for the treatment of cystic fibrosis GALAPAGOS NV (BE) 2016-05-31 — — US claimed
US-20160022633-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF CYSTIC FIBROSIS GILEAD SCIENCES, INC. 2016-01-28 — — US claimed
US-9133210-B2 Compounds and pharmaceutical compositions thereof for the treatment of cystic fibrosis GALAPAGOS NV (BE) 2015-09-15 — — US claimed
WO-2015018823-A1 THIENO[2,3-C]PYRANS AS CFTR MODULATORS GALAPAGOS NV (BE) 2015-02-12 — — WO claimed
US-20150045327-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF CYSTIC FIBROSIS GILEAD SCIENCES, INC. 2015-02-12 — — US claimed
US-20240043386-A1 Modulators of the Cystic Fibrosis Transmembrane Conductance Regulator Protein and Methods of Use ABBVIE GLOBAL ENTPR LTD (BM) 2024-02-08 — — US disclosed
WO-2022150173-A1 MODULATORS OF THE CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN AND METHODS OF USE AbbVie Global Enterprises Ltd. (BM) 2022-07-14 — — WO disclosed
US-9133210-B2 Compounds and pharmaceutical compositions thereof for the treatment of cystic fibrosis GALAPAGOS NV (BE) 2015-09-15 — — US disclosed
WO-2015018823-A1 THIENO[2,3-C]PYRANS AS CFTR MODULATORS GALAPAGOS NV (BE) 2015-02-12 — — WO disclosed
US-20150045327-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF CYSTIC FIBROSIS GILEAD SCIENCES, INC. 2015-02-12 — — 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 (10 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 1995/4885DAO 3496/4885HCAR3 1160/4885
US-20240043386-A1 Modulators of the Cystic Fibrosis Transmembrane Conductance Regulator Protein and Methods of Use CFTR, SLC47A1, SLC47A2 HCAR2 1318/4885DAO 4236/4885HCAR3 864/4885
US-20180221334-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, ABCB11, ABCC5 HCAR2 1890/4885DAO 3619/4885HCAR3 1125/4885
US-20190202823-A1 N-SULFONYLATED PYRAZOLO[3,4-b]PYRIDIN-6-CARBOXAMIDES AND METHOD OF USE CFTR, P2RY1, P2RX5 HCAR2 1872/4885DAO 4102/4885HCAR3 828/4885
US-20190055229-A1 Heteroaryl Substituted Pyridines and Methods of Use CFTR, P2RX2, P2RX1 HCAR2 768/4885DAO 1824/4885HCAR3 392/4885
US-20160022633-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, ABCB11, ABCC5 HCAR2 1890/4885DAO 3619/4885HCAR3 1125/4885
US-20160317493-A1 Novel Compounds and Pharmaceutical Compositions Thereof for the Treatment of Cystic Fibrosis CFTR, ABCB11, ABCC5 HCAR2 1890/4885DAO 3619/4885HCAR3 1125/4885
US-10259810-B2 N-sulfonylated pyrazolo[3,4-b]pyridin-6-carboxamides and method of use CFTR, P2RY1, P2RX5 HCAR2 1872/4885DAO 4102/4885HCAR3 828/4885
US-20180105522-A1 N-SULFONYLATED PYRAZOLO[3,4-b]PYRIDIN-6-CARBOXAMIDES AND METHOD OF USE CFTR, P2RY1, P2RX5 HCAR2 1872/4885DAO 4102/4885HCAR3 828/4885
US-20150045327-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, ABCB11, ABCC5 HCAR2 1890/4885DAO 3619/4885HCAR3 1125/4885

“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.

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