SCHEMBL376662

SCHEMBL376662

CCOC(=O)c1c[nH]c2ccccc2c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.69
GABRB2 P47870 4/20 0.69
CLEC4M Q9H2X3 1/20 0.68
GABRB1 P18505 2/20 0.67
GABRA3 P34903 2/20 0.67
KDM4E B2RXH2 2/20 0.60
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
ALDH1A1 P00352 1/20 0.59
TP53 P04637 1/20 0.59
HPGD P15428 1/20 0.59
HSD17B10 Q99714 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
CFTR P13569 3/20 0.57
PKM P14618 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C19 P33261 1/20 0.56

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 1.00 GABRA1 (0.69) GABRA1GABRB2CLEC4MGABRB1GABRA3
Hydrochloric Acid SCHEMBL29008098 0.99 GABRA1 (0.67) GABRA1GABRB2CLEC4MGABRB1GABRA3
Hydrochloric Acid SCHEMBL30417898 0.99 GABRA1 (0.67) GABRA1GABRB2CLEC4MGABRB1GABRA3
SCHEMBL730525 0.89 NR4A2 (0.69) GABRA1GABRB2KDM4EMEN1KMT2A
SCHEMBL22704179 0.89 GABRA1 (0.61) GABRA1GABRB2CLEC4MGABRB1GABRA3
Hydrochloric Acid SCHEMBL28308377 0.88 NR4A2 (0.67) GABRA1GABRB2KDM4EMEN1KMT2A
Hydrochloric Acid SCHEMBL30718988 0.88 NR4A2 (0.67) GABRA1GABRB2KDM4EMEN1KMT2A
SCHEMBL7515095 0.84 NR4A2 (0.60) GABRA1GABRB2GABRB1GABRA3CFTR
SCHEMBL29696613 0.83 NR4A2 (0.79) GABRA1GABRB2CFTR
SCHEMBL2052030 0.83 NR4A2 (0.79) GABRA1GABRB2CFTR

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 542 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
EP-4043439-A1 AN IMPROVED PROCESS FOR THE SYNTHESIS OF IVACAFTOR [ Council of Scientific and Industrial Research (IN) 2022-08-17 EP claimed
US-11274081-B2 Process for the synthesis of ivacaftor COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2022-03-15 US claimed
CN-108675959-B Deuterated enrofloxacin-d5Preparation method of (1) 雅安职业技术学院 2022-02-25 CN claimed
US-20200325104-A1 AN IMPROVED PROCESS FOR THE SYNTHESIS OF IVACAFTOR COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2020-10-15 US claimed
CN-111646941-A Sulfonamide derivative and preparation method and application thereof 天津科技大学 2020-09-11 CN claimed
EP-3464243-A2 AN IMPROVED PROCESS FOR THE SYNTHESIS OF IVACAFTOR Council of Scientific and Industrial Research (IN) 2019-04-10 EP claimed
WO-2017208253-A2 AN IMPROVED PROCESS FOR THE SYNTHESIS OF IVACAFTOR COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2017-12-07 WO claimed
EP-4556008-A2 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CFTR MEDIATED DISEASES Vertex Pharmaceuticals Incorporated (US) 2025-05-21 EP disclosed
EP-4043439-B1 AN IMPROVED PROCESS FOR THE SYNTHESIS OF IVACAFTOR COUNCIL SCIENT IND RES (IN) 2025-03-12 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-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-0055068-B1 QUINOLONE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS Lilly Industries Limited (GB) 1984-10-17 EP disclosed
US-4390541-A ANTIALLERGENS; ANTISPASMODIC AGENTS LILLY INDUSTRIES LIMITED (GB) 1983-06-28 US disclosed
EP-0058392-A1 Substituted carboxylic acid derivatives NIPPON SHINYAKU COMPANY, LIMITED (JP) 1982-08-25 EP disclosed
EP-0055068-A1 Quinolone derivatives and their use as pharmaceuticals Lilly Industries Limited (GB) 1982-06-30 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 (2 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 1587/4885CLEC4M 2943/4885
US-20200325104-A1 AN IMPROVED PROCESS FOR THE SYNTHESIS OF IVACAFTOR IDO1, SLC10A2, IDO2 GABRA1 952/4885GABRB2 1472/4885CLEC4M 2909/4885

“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.