SCHEMBL6388987

SCHEMBL6388987

CCOC(=O)C[C@@H](NC(=O)c1cc(-c2ccc(-c3ccc(C(C)=O)cc3)cc2)c(F)s1)c1ccccc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 6/20 0.79
ITGB3 P05106 2/20 0.42
ITGA2B P08514 2/20 0.42
ROCK2 O75116 4/20 0.41
ROCK1 Q13464 4/20 0.41
F2 P00734 2/20 0.41
F10 P00742 1/20 0.41
MMP3 P08254 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP13 P45452 1/20 0.40
ALDH1A1 P00352 1/20 0.39
MAPK13 O15264 1/20 0.38
RPS6KA5 O75582 1/20 0.38
MAP4K4 O95819 1/20 0.38
PAK4 O96013 1/20 0.38
PRKCG P05129 1/20 0.38
CDK1 P06493 1/20 0.38
PRKACA P17612 1/20 0.38
RPS6KB1 P23443 1/20 0.38

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
SCHEMBL6388429 0.89 MMP12 (0.78) MMP12ROCK2ROCK1MMP3MMP9
SCHEMBL6370866 0.89 MMP12 (1.00) MMP12ROCK2ROCK1MMP3MMP9
SCHEMBL6369688 0.88 MMP12 (0.87) MMP12ROCK2ROCK1MMP3MMP9
SCHEMBL6371574 0.86 MMP12 (0.80) MMP12ITGB3MMP13ALDH1A1
SCHEMBL6369840 0.76 MMP12 (1.00) MMP12ROCK2ROCK1MMP3MMP9
Hydrochloric Acid SCHEMBL6388969 0.75 MMP12 (0.98) MMP12ROCK2ROCK1MMP3MMP9
SCHEMBL6370577 0.74 MMP12 (1.00) MMP12ITGB3MMP3MMP9MMP8
SCHEMBL6370523 0.73 MMP12 (1.00) MMP12ITGB3MMP3MMP9MMP8
SCHEMBL8302059 0.72 MMP12 (0.76) MMP12ROCK2ROCK1MMP3MMP9
SCHEMBL6371578 0.72 MMP12 (0.86) MMP12ITGB3MMP3MMP9MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050014817-A1 Fluorothiophene derivatives, process for preparing them and pharmaceutical compositions containing them PFIZER INC 2005-01-20 US disclosed
WO-2005003114-A1 5-FLUORO-THIOPEN-COMPOUNDS,THE PROCESS FOR THEIR PREPARATION,THE PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE AS METALLOPOTENASES INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2005-01-13 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 (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-20050014817-A1 Fluorothiophene derivatives, process for preparing them and pharmaceutical compositions containing them MMP12, MMP13, MMP11 MMP12 1/4885ITGB3 1170/4885ITGA2B 2446/4885

“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.