SCHEMBL15080233

SCHEMBL15080233

CCOC(=O)c1c[nH]c2cc#ccc2c1=O

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.60
GABRB2 P47870 3/20 0.60
GABRB1 P18505 2/20 0.59
GABRA3 P34903 2/20 0.59
CLEC4M Q9H2X3 1/20 0.56
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C19 P33261 1/20 0.54
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
ALDH1A1 P00352 2/20 0.51
TP53 P04637 1/20 0.51
HPGD P15428 1/20 0.51
HSD17B10 Q99714 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
KDM4E B2RXH2 3/20 0.49
MAPT P10636 2/20 0.48

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
SCHEMBL29475801 0.78 GABRA1 (0.69) GABRA1GABRB2GABRB1GABRA3CLEC4M
SCHEMBL28289153 0.78 GABRA1 (0.69) GABRA1GABRB2GABRB1GABRA3CLEC4M
SCHEMBL376662 0.78 GABRA1 (0.69) GABRA1GABRB2GABRB1GABRA3CLEC4M
Hydrochloric Acid SCHEMBL29008098 0.77 GABRA1 (0.67) GABRA1GABRB2GABRB1GABRA3CLEC4M
Hydrochloric Acid SCHEMBL30417898 0.77 GABRA1 (0.67) GABRA1GABRB2GABRB1GABRA3CLEC4M
SCHEMBL15080244 0.77 KDM4E (0.51) CYP1A2KMT2AMEN1ALDH1A1HPGD
SCHEMBL7284420 0.76 GABRA1 (0.78) GABRA1GABRB2GABRB1GABRA3CLEC4M
SCHEMBL30417619 0.76 GABRA1 (0.78) GABRA1GABRB2GABRB1GABRA3CLEC4M
SCHEMBL28287752 0.76 GABRA1 (0.66) GABRA1GABRB2GABRB1GABRA3CLEC4M
SCHEMBL28289180 0.76 GABRA1 (0.66) GABRA1GABRB2GABRB1GABRA3CLEC4M

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4043439-B1 AN IMPROVED PROCESS FOR THE SYNTHESIS OF IVACAFTOR COUNCIL SCIENT IND RES (IN) 2025-03-12 EP claimed
EP-3464243-B1 AN IMPROVED PROCESS FOR THE SYNTHESIS OF IVACAFTOR COUNCIL SCIENT IND RES (IN) 2025-02-12 EP claimed
US-11274081-B2 Process for the synthesis of ivacaftor COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2022-03-15 US claimed
US-20200325104-A1 AN IMPROVED PROCESS FOR THE SYNTHESIS OF IVACAFTOR COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2020-10-15 US claimed
EP-4556008-A2 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CFTR MEDIATED DISEASES Vertex Pharmaceuticals Incorporated (US) 2025-05-21 EP disclosed
EP-3464243-B1 AN IMPROVED PROCESS FOR THE SYNTHESIS OF IVACAFTOR COUNCIL SCIENT IND RES (IN) 2025-02-12 EP disclosed
EP-3470063-B1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CFTR MEDIATED DISEASES VERTEX PHARMA (US) 2025-01-01 EP disclosed
WO-2024151425-A1 COMPOUNDS AND METHOD FOR TREATING HIV INFECTION THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2024-07-18 WO disclosed
US-12024491-B2 Processes for making modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2024-07-02 US disclosed
US-12024491-B2 Processes for making modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2024-07-02 US disclosed
US-20230364073-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CFTR MEDIATED DISEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-11-16 US disclosed
US-20230364073-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CFTR MEDIATED DISEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-11-16 US disclosed
US-20070167443-A1 Substituted quinolones and methods of use CHEMOCENTRYX, INC. (US) 2007-07-19 US disclosed
WO-2007079139-A2 SOLID FORMS OF N-[2,4-BIS(1,1-DIMETHYLETHYL)-5-HYDROXYPHENYL]-1,4-DIHYDRO-4-OXOQUINOLINE-3-CARBOXAMIDE VERTEX PHARMACEUTICALS, INC. (US) 2007-07-12 WO disclosed
WO-2007075946-A1 COMPOUNDS USEFUL IN CFTR ASSAYS AND METHODS THEREWITH VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-07-05 WO disclosed
WO-2007059108-A2 SUBSTITUTED QUINOLONES AND METHODS OF USE CHEMOCENTRYX, INC. (US) 2007-05-24 WO disclosed
US-20070032522-A1 Antiviral agents VIROBAY, INC. 2007-02-08 US disclosed
US-4659734-A BACTERICIDES, FUNGICIDES NIPPON SHINYAKU CO., LTD. (JP) 1987-04-21 US disclosed
EP-0058392-B1 SUBSTITUTED CARBOXYLIC ACID DERIVATIVES NIPPON SHINYAKU COMPANY, LIMITED (JP) 1985-11-21 EP disclosed
EP-0058392-A1 Substituted carboxylic acid derivatives NIPPON SHINYAKU COMPANY, LIMITED (JP) 1982-08-25 EP 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-11274081-B2 Process for the synthesis of ivacaftor IDO1, IDO2, SLC10A2 GABRA1 946/4885GABRB2 1587/4885GABRB1 1446/4885
US-20070167443-A1 Substituted quinolones and methods of use TOP2A, NQO2, TOP2B GABRA1 3235/4885GABRB2 2513/4885GABRB1 2699/4885
US-12024491-B2 Processes for making modulators of cystic fibrosis transmembrane conductance regulator CFTR, SLC47A2, SCNN1B GABRA1 867/4885GABRB2 509/4885GABRB1 460/4885
US-20230364073-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CFTR MEDIATED DISEASES CFTR, CLCN2, CLIC1 GABRA1 511/4885GABRB2 658/4885GABRB1 625/4885
US-20200325104-A1 AN IMPROVED PROCESS FOR THE SYNTHESIS OF IVACAFTOR IDO1, SLC10A2, IDO2 GABRA1 952/4885GABRB2 1472/4885GABRB1 1357/4885
US-20070032522-A1 Antiviral agents MAVS, HAVCR2, EIF2AK2 GABRA1 4600/4885GABRB2 4547/4885GABRB1 4447/4885

“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.