SCHEMBL1295697

SCHEMBL1295697

CC(C)(C)OC(=O)NC/C(=C\F)Cc1ccc(F)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.39
RIPK1 Q13546 1/20 0.36
MAPK8 P45983 1/20 0.36
EGFR P00533 1/20 0.36
AURKB Q96GD4 1/20 0.36
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
EPHX2 P34913 1/20 0.35
GRM2 Q14416 1/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
KDM4A O75164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KCNQ2 O43526 1/20 0.34
SERPINE1 P05121 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
SIGMAR1 Q99720 1/20 0.34

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
SCHEMBL1295700 1.00 GAA (0.39) GAARIPK1MAPK8EGFRAURKB
SCHEMBL1296061 0.92 MAPT (0.38) GAAEGFRAURKBCTSSCTSK
SCHEMBL1296066 0.92 MAPT (0.38) GAAEGFRAURKBCTSSCTSK
SCHEMBL1295621 0.91 MMP13 (0.39) GAAEGFRAURKBCTSSCTSK
SCHEMBL1295626 0.91 MMP13 (0.39) GAAEGFRAURKBCTSSCTSK
SCHEMBL1295430 0.90 EGFR (0.44) GAAEGFRAURKBALDH1A1HPGD
SCHEMBL1295435 0.90 EGFR (0.44) GAAEGFRAURKBALDH1A1HPGD
SCHEMBL1295327 0.89 MTNR1A (0.41) ALDH1A1HPGD
SCHEMBL1295330 0.89 MTNR1A (0.41) ALDH1A1HPGD
SCHEMBL1295892 0.86 CTSS (0.45) GAACTSSCTSKEPHX2GRM2

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 GAA 1702/4885RIPK1 2076/4885MAPK8 3933/4885
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 GAA 1702/4885RIPK1 2076/4885MAPK8 3933/4885
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 GAA 1702/4885RIPK1 2076/4885MAPK8 3933/4885

“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.