SCHEMBL395325

SCHEMBL395325

CCC(C)OC(=O)C(=CNc1ccccc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 5/20 0.46
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAPT P10636 5/20 0.42
GAA P10253 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
KLK7 P49862 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
TP53 P04637 1/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
NPC1 O15118 1/20 0.36
PKM P14618 1/20 0.36
RAB9A P51151 1/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL5046716 0.89 DHODH (0.58) DHODHCYP1A2CYP2C19MAPTGAA
SCHEMBL3883132 0.88 DHODH (0.44) DHODHCYP1A2CYP2C19MAPTNPSR1
SCHEMBL846105 0.88 MAPT (0.45) DHODHCYP1A2CYP2C19MAPTGAA
SCHEMBL436620 0.88 DHODH (0.44) DHODHMAPTGAASMN1; SMN2TDP1
SCHEMBL3852129 0.87 ALDH1A1 (0.45) DHODHCYP1A2CYP2C19MAPTGAA
SCHEMBL62489 0.87 NPC1 (0.46) DHODHCYP1A2MAPTSMN1; SMN2TDP1
SCHEMBL4150774 0.86 DHODH (0.46) DHODHMAPTGAASMN1; SMN2KDM4E
SCHEMBL11631229 0.86 MAPT (0.50) DHODHCYP1A2CYP2C19MAPTGAA
SCHEMBL3785519 0.85 PLK1 (0.42) DHODHSMN1; SMN2NPSR1ALDH1A1NPC1
SCHEMBL11201864 0.84 GAA (0.44) DHODHMAPTGAASMN1; SMN2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260108506-A1 METHODS OF TREATMENT FOR CYSTIC FIBROSIS VERTEX PHARMACEUTICALS INCORPORATED 2026-04-23 US disclosed
US-20260092047-A1 MODULATOR OF THE CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR, PHARMACEUTICAL COMPOSITIONS, METHODS OF TREATMENT, AND PROCESS FOR MAKING THE MODULATOR VERTEX PHARMA (US) 2026-04-02 US disclosed
EP-4218754-B1 VANZACAFTOR FOR USE IN THE TREATMENT OF CYSTIC FIBROSIS VERTEX PHARMA (US) 2026-03-25 EP disclosed
US-20260034064-A1 COMPOSITIONS FOR THE TREATMENT OF CFTR-MEDIATED DISEASES VERTEX PHARMA (US) 2026-02-05 US disclosed
EP-3634402-B1 METHODS OF TREATMENT FOR CYSTIC FIBROSIS VERTEX PHARMA (US) 2026-01-21 EP disclosed
EP-3697774-B1 CRYSTALLINE FORMS AND COMPOSITIONS OF CFTR MODULATORS VERTEX PHARMA (US) 2025-09-24 EP disclosed
US-12384762-B2 Modulator of the Cystic Fibrosis Transmembrane Conductance Regulator, pharmaceutical compositions, methods of treatment, and process for making the modulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-08-12 US disclosed
US-12350262-B2 Methods of treatment for cystic fibrosis VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-07-08 US disclosed
EP-3880197-B9 METHODS OF TREATMENT FOR CYSTIC FIBROSIS VERTEX PHARMA (US) 2025-07-02 EP disclosed
EP-4565212-A1 COMPOSITIONS FOR THE TREATMENT OF CFTR-MEDIATED DISEASES Vertex Pharmaceuticals Incorporated (US) 2025-06-11 EP disclosed
US-20080090864-A1 COMPOSITIONS OF N-[2,4-BIS(1,1-DIMETHYLETHYL)-5-HYDROXYPHENYL]-1,4-DIHYDRO-4-OXOQUINOLINE-3-CARBOXAMIDE VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-04-17 US disclosed
US-20080071095-A1 Cystic fibrosis transmembrane conductance VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-03-20 US disclosed
WO-2007079139-A9 SOLID FORMS OF N-[2,4-BIS(1,1-DIMETHYLETHYL)-5-HYDROXYPHENYL]-1,4-DIHYDRO-4-OXOQUINOLINE-3-CARBOXAMIDE VERTEX PHARMA (US) 2007-11-29 WO 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-2007075194-A1 SELECTIVE BENZYLAMINE DERIVATIVES AND THEIR UTILITY AS CHOLESTEROL ESTER-TRANSFER PROTEIN INHIBITORS REDDY US THERAPEUTICS, INC. (US) 2007-07-05 WO disclosed
WO-2007075946-A1 COMPOUNDS USEFUL IN CFTR ASSAYS AND METHODS THEREWITH VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-07-05 WO disclosed
EP-1773816-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2007-04-18 EP disclosed
US-20070015758-A1 Novel benzylamine derivatives and their utility as cholesterol ester-transfer protein inhibitors DR. REDDY'S LABORATORIES LTD. (IN) 2007-01-18 US disclosed
US-20060074075-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"), used for treating genetic disorders; respiratory system disorders VERTEX PHARMACEUTICALS INCORPORATED 2006-04-06 US disclosed
WO-2006002421-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-01-05 WO 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 (9 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-12350262-B2 Methods of treatment for cystic fibrosis CFTR, SLC26A4, SCNN1B DHODH 2962/4885CYP1A2 3430/4885CYP2C19 2358/4885
US-20260108506-A1 METHODS OF TREATMENT FOR CYSTIC FIBROSIS CFTR, CLCN2, SCNN1B DHODH 4438/4885CYP1A2 2899/4885CYP2C19 1372/4885
US-12384762-B2 Modulator of the Cystic Fibrosis Transmembrane Conductance Regulator, pharmaceutical compositions, methods of treatment, and process for making the modulator CFTR, SLC26A4, TMEM109 DHODH 2013/4885CYP1A2 2126/4885CYP2C19 1564/4885
US-20260092047-A1 MODULATOR OF THE CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR, PHARMACEUTICAL COMPOSITIONS, METHODS OF TREATMENT, AND PROCESS FOR MAKING THE MODULATOR CFTR, SLC26A3, SLC26A4 DHODH 3487/4885CYP1A2 2440/4885CYP2C19 883/4885
US-20070015758-A1 Novel benzylamine derivatives and their utility as cholesterol ester-transfer protein inhibitors CETP, NPC1, DBI DHODH 2815/4885CYP1A2 2839/4885CYP2C19 3491/4885
US-20080071095-A1 Cystic fibrosis transmembrane conductance CFTR, ABCB1, ABCC1 DHODH 3361/4885CYP1A2 3682/4885CYP2C19 4158/4885
US-20060074075-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"), used for treating genetic disorders; respiratory system disorders CFTR, ABCC4, ABCC2 DHODH 2931/4885CYP1A2 3525/4885CYP2C19 3742/4885
US-20080090864-A1 COMPOSITIONS OF N-[2,4-BIS(1,1-DIMETHYLETHYL)-5-HYDROXYPHENYL]-1,4-DIHYDRO-4-OXOQUINOLINE-3-CARBOXAMIDE H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, OPRM1, GRIN2C DHODH 677/4885CYP1A2 146/4885CYP2C19 675/4885
US-20260034064-A1 COMPOSITIONS FOR THE TREATMENT OF CFTR-MEDIATED DISEASES CFTR, ABCC2, ABCC8 DHODH 2979/4885CYP1A2 2805/4885CYP2C19 2798/4885

“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.