SCHEMBL1295435

SCHEMBL1295435

CC(C)(C)OC(=O)NCC(=CF)Cc1ccc(F)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.44
AURKB Q96GD4 1/20 0.44
GAA P10253 1/20 0.42
CNR2 P34972 1/20 0.42
PIK3CA P42336 1/20 0.39
IDO1 P14902 2/20 0.38
HTT P42858 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
NCOA1 Q15788 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37
TRPV1 Q8NER1 2/20 0.36
TSHR P16473 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 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
SCHEMBL1295430 1.00 EGFR (0.44) EGFRAURKBGAACNR2PIK3CA
SCHEMBL1295697 0.90 GAA (0.39) EGFRAURKBGAAALDH1A1HPGD
SCHEMBL1295700 0.90 GAA (0.39) EGFRAURKBGAAALDH1A1HPGD
SCHEMBL1295626 0.87 MMP13 (0.39) EGFRAURKBGAALMNAKDM4E
SCHEMBL1295621 0.87 MMP13 (0.39) EGFRAURKBGAALMNAKDM4E
SCHEMBL4090486 0.87 GAA (0.52) GAAIDO1LMNAMEN1ALDH1A1
SCHEMBL4090490 0.87 GAA (0.52) GAAIDO1LMNAMEN1ALDH1A1
SCHEMBL1296061 0.86 MAPT (0.38) EGFRAURKBGAALMNAKDM4E
SCHEMBL1296066 0.86 MAPT (0.38) EGFRAURKBGAALMNAKDM4E
SCHEMBL1295463 0.86 EGFR (0.47) EGFRAURKBGAACNR2PIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110269811-A1 INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) AND VAP-1 MEDIATED ADHESION USEFUL FOR TREATMENT AND PREVENTION OF DISEASES FASTRACK PHARMACEUTICALS, INC. 2011-11-03 US disclosed
US-20090203764-A1 INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) AND VAP-1 MEDIATED ADHESION USEFUL FOR TREATMENT AND PREVENTION OF DISEASES FASTRACK PHARMACEUTICALS, INC. 2009-08-13 US disclosed
US-20070293548-A1 Inhibitors of semicarbazide-sensitive amine oxidase (SSAO) and VAP-1 mediated adhesion useful for treatment and prevention of diseases LA JOLLA PHARMACEUTICAL COMPANY 2007-12-20 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 (3 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-20070293548-A1 Inhibitors of semicarbazide-sensitive amine oxidase (SSAO) and VAP-1 mediated adhesion useful for treatment and prevention of diseases VCAM1, AOC3, AOC2 EGFR 4669/4885AURKB 3466/4885GAA 1702/4885
US-20110269811-A1 INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) AND VAP-1 MEDIATED ADHESION USEFUL FOR TREATMENT AND PREVENTION OF DISEASES VCAM1, AOC3, AOC2 EGFR 4669/4885AURKB 3466/4885GAA 1702/4885
US-20090203764-A1 INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) AND VAP-1 MEDIATED ADHESION USEFUL FOR TREATMENT AND PREVENTION OF DISEASES VCAM1, AOC3, AOC2 EGFR 4669/4885AURKB 3466/4885GAA 1702/4885

“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.