SCHEMBL6367993

SCHEMBL6367993

O=C(NC(C(=O)COCc1ccccc1)c1ccccc1)c1cc(-c2ccc(OC(F)(F)F)cc2)cs1

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 11/20 0.73
MMP13 P45452 3/20 0.73
MMP3 P08254 1/20 0.43
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
ABL1 P00519 1/20 0.41
SCN10A Q9Y5Y9 2/20 0.38
EPHX1 P07099 1/20 0.38
SERPINE1 P05121 1/20 0.38
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37

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
SCHEMBL6141827 0.88 MMP12 (0.55) MMP12MMP13MMP3MMP9MMP8
SCHEMBL6368500 0.85 MMP12 (1.00) MMP12MMP13MMP3MMP9MMP8
SCHEMBL6141835 0.85 MMP12 (1.00) MMP12MMP13MMP3MMP9MMP8
SCHEMBL6141848 0.85 MMP12 (1.00) MMP12MMP13MMP3MMP9MMP8
SCHEMBL8301905 0.81 MMP12 (0.78) MMP12MMP13MMP3MMP9MMP8
SCHEMBL6367899 0.78 MMP12 (0.73) MMP12MMP13MMP3MMP9MMP8
SCHEMBL6368969 0.78 MMP12 (0.70) MMP12MMP13MMP3MMP9MMP8
SCHEMBL6141819 0.78 MMP12 (0.71) MMP12MMP13MMP3MMP9MMP8
SCHEMBL8301907 0.77 MMP12 (0.73) MMP12MMP13MMP3MMP9MMP8
SCHEMBL6141808 0.77 MMP12 (0.64) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050014816-A1 Thiophene amino acid derivatives, process for preparing them and pharmaceutical compositions containing them PFIZER INC 2005-01-20 US claimed
WO-2005003115-A1 THIOPHENE AMINO ACID DERIVATIVES, PROCESS FOR PREPARING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM WARNER-LAMBERT COMPANY LLC (US) 2005-01-13 WO claimed
US-20050014816-A1 Thiophene amino acid derivatives, process for preparing them and pharmaceutical compositions containing them PFIZER INC 2005-01-20 US disclosed
WO-2005003115-A1 THIOPHENE AMINO ACID DERIVATIVES, PROCESS FOR PREPARING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM 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-20050014816-A1 Thiophene amino acid derivatives, process for preparing them and pharmaceutical compositions containing them MMP12, MMP9, MMP13 MMP12 1/4885MMP13 3/4885MMP3 17/4885

“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.