SCHEMBL4150771

SCHEMBL4150771

CCOC(=O)C(=CNc1cccc(F)c1)C(=O)OCC

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 6/20 0.70
NPSR1 Q6W5P4 4/20 0.58
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
MAPT P10636 7/20 0.55
GAA P10253 4/20 0.55
TDP1 Q9NUW8 2/20 0.55
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
KDM4E B2RXH2 4/20 0.54
MAPK1 P28482 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
RECQL P46063 1/20 0.52
EGFR P00533 1/20 0.50
ERBB2 P04626 1/20 0.50

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
SCHEMBL1904632 0.86 DHODH (0.73) DHODHNPSR1CYP3A4CYP2D6MAPT
SCHEMBL25069374 0.85 DHODH (0.63) DHODHNPSR1CYP3A4CYP2D6MAPT
SCHEMBL10474559 0.84 DHODH (0.52) DHODHNPSR1CYP3A4CYP2D6MAPT
SCHEMBL10474560 0.84 DHODH (0.52) DHODHNPSR1CYP3A4CYP2D6MAPT
SCHEMBL1429754 0.83 DHODH (0.70) DHODHNPSR1CYP3A4CYP2D6MAPT
SCHEMBL1429843 0.83 DHODH (0.70) DHODHNPSR1CYP3A4CYP2D6MAPT
SCHEMBL10862609 0.83 MAPT (0.76) DHODHNPSR1CYP3A4CYP2D6MAPT
SCHEMBL10988529 0.83 DHODH (0.70) DHODHNPSR1CYP3A4CYP2D6MAPT
SCHEMBL4742564 0.83 NPSR1 (0.72) DHODHNPSR1CYP3A4CYP2D6MAPT
SCHEMBL846104 0.82 DHODH (0.77) DHODHNPSR1CYP3A4CYP2D6MAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090186918-A1 Triazole Compounds as Lipoxygenase Inhibitors BIOLIPOX AB (SE) 2009-07-23 US disclosed
CN-100457737-C Quinolyl amide derivative and its prepn process and use INST PHARM & TOXICOLOGY AMMS (CN) 2009-02-04 CN disclosed
WO-2008093940-A1 QUINOLINE DERIVATIVES AS CASPASE-3 INHIBITOR, PREPARATION PROCESS FOR THE SAME AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME YUNGJIN PHARMACEUTICAL CO., LTD. (KR) 2008-08-07 WO disclosed
CN-1847226-A Quinolyl amide derivative and its prepn process and use INST OF TOXICANT PHARMACOLOGY (CN) 2006-10-18 CN disclosed
EP-0174832-A2 Ethene derivatives MAY & BAKER LIMITED (GB) 1986-03-19 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 (1 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-20090186918-A1 Triazole Compounds as Lipoxygenase Inhibitors ALOX15, ALOX15B, ALOX12 DHODH 361/4885NPSR1 2435/4885CYP3A4 77/4885

“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.