SCHEMBL6370577

SCHEMBL6370577

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 8/20 1.00
MMP13 P45452 2/20 0.49
MMP3 P08254 1/20 0.47
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
ITGB3 P05106 2/20 0.47
ITGAV P06756 2/20 0.47
SUCNR1 Q9BXA5 1/20 0.42
PDE2A O00408 1/20 0.42
CYP26A1 O43174 1/20 0.41
NPSR1 Q6W5P4 2/20 0.41
RXFP1 Q9HBX9 2/20 0.41
ALDH1A1 P00352 1/20 0.41
THRB P10828 1/20 0.41
HPGD P15428 1/20 0.41
CTSA P10619 3/20 0.40
PRNP P04156 1/20 0.40

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
SCHEMBL6370523 0.93 MMP12 (1.00) MMP12MMP13MMP3MMP9MMP8
SCHEMBL6371578 0.92 MMP12 (0.86) MMP12MMP13MMP3MMP9MMP8
SCHEMBL6371574 0.89 MMP12 (0.80) MMP12MMP13ITGB3ITGAVPDE2A
SCHEMBL6369840 0.83 MMP12 (1.00) MMP12MMP13MMP3MMP9MMP8
SCHEMBL6367899 0.82 MMP12 (0.73) MMP12MMP13MMP3MMP9MMP8
Hydrochloric Acid SCHEMBL6388969 0.82 MMP12 (0.98) MMP12MMP13MMP3MMP9MMP8
SCHEMBL6370866 0.82 MMP12 (1.00) MMP12MMP13MMP3MMP9MMP8
SCHEMBL3995775 0.77 MMP12 (0.62) MMP12ITGB3ITGAVSUCNR1PDE2A
SCHEMBL6378030 0.76 MMP12 (0.59) MMP12
SCHEMBL6369688 0.75 MMP12 (0.87) MMP12MMP13MMP3MMP9MMP8

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-20050014817-A1 Fluorothiophene derivatives, process for preparing them and pharmaceutical compositions containing them PFIZER INC 2005-01-20 US claimed
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 claimed
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
EP-1493740-A1 5-fluoro-thiophene compounds, the process for their prepartion, the pharmaceutical compositions containing them and their use as metalloproteinases inhibitors Warner-Lambert Company LLC (US) 2005-01-05 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-20050014817-A1 Fluorothiophene derivatives, process for preparing them and pharmaceutical compositions containing them MMP12, MMP13, MMP11 MMP12 1/4885MMP13 2/4885MMP3 6/4885

“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.