SCHEMBL6370866

SCHEMBL6370866

CC(=O)c1ccc(-c2ccc(-c3cc(C(=O)N[C@H](CC(=O)O)c4ccccc4)sc3F)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 6/20 1.00
MMP3 P08254 1/20 0.51
MMP9 P14780 1/20 0.51
MMP8 P22894 1/20 0.51
MMP13 P45452 1/20 0.51
ROCK1 Q13464 5/20 0.44
ROCK2 O75116 3/20 0.44
CYP26A1 O43174 1/20 0.42
GSK3B P49841 4/20 0.42
CLK4 Q9HAZ1 4/20 0.42
RPS6KA5 O75582 3/20 0.42
AKT1 P31749 3/20 0.42
NEK4 P51957 3/20 0.42
PRKCD Q05655 3/20 0.42
PRKG2 Q13237 3/20 0.42
PRKG1 Q13976 3/20 0.42
PKN2 Q16513 3/20 0.42
GSK3A P49840 3/20 0.42
MAPK13 O15264 2/20 0.42
MAP4K4 O95819 2/20 0.42

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
SCHEMBL6369688 0.93 MMP12 (0.87) MMP12MMP3MMP9MMP8MMP13
SCHEMBL6388987 0.89 MMP12 (0.79) MMP12MMP3MMP9MMP8MMP13
SCHEMBL6369840 0.87 MMP12 (1.00) MMP12MMP3MMP9MMP8MMP13
Hydrochloric Acid SCHEMBL6388969 0.86 MMP12 (0.98) MMP12MMP3MMP9MMP8MMP13
SCHEMBL6370577 0.82 MMP12 (1.00) MMP12MMP3MMP9MMP8MMP13
SCHEMBL8300063 0.81 MMP12 (0.76) MMP12MMP3MMP9MMP8MMP13
SCHEMBL6367846 0.81 MMP12 (0.76) MMP12MMP3MMP9MMP8MMP13
SCHEMBL6388429 0.77 MMP12 (0.78) MMP12MMP3MMP9MMP8MMP13
SCHEMBL6370523 0.75 MMP12 (1.00) MMP12MMP3MMP9MMP8MMP13
SCHEMBL6369892 0.75 MMP12 (0.58) MMP12PRKAA1

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 4 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
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 1/4885MMP3 6/4885MMP9 5/4885

“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.