SCHEMBL6881373

SCHEMBL6881373

O=C(NCc1ccc(O)c(C(=O)O)c1)c1cc(-c2ccc(OC(F)(F)F)cc2)cs1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 7/20 0.55
MMP13 P45452 1/20 0.52
MAPK1 P28482 2/20 0.45
ROCK2 O75116 1/20 0.44
ROCK1 Q13464 1/20 0.44
PPARA Q07869 4/20 0.44
PPARD Q03181 2/20 0.44
AKR1C2 P52895 1/20 0.43
AKR1C1 Q04828 1/20 0.43
EPHX2 P34913 2/20 0.42
NR1H4 Q96RI1 1/20 0.42
PPARG P37231 1/20 0.42
HTR2C P28335 1/20 0.41
MAPK14 Q16539 1/20 0.41
ABL1 P00519 1/20 0.41

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
SCHEMBL8337355 0.92 MMP12 (0.60) MMP12MMP13MAPK1ROCK2ROCK1
SCHEMBL6881245 0.89 MMP12 (0.57) MMP12MMP13MAPK1ROCK2ROCK1
SCHEMBL6663858 0.86 MMP12 (0.59) MMP12MMP13MAPK1ROCK2ROCK1
SCHEMBL6462719 0.84 MMP12 (0.64) MMP12MMP13MAPK1ROCK2ROCK1
SCHEMBL6456507 0.84 MMP12 (0.72) MMP12MMP13MAPK1ROCK2ROCK1
SCHEMBL6458023 0.83 MMP12 (0.56) MMP12MMP13MAPK1ROCK2ROCK1
SCHEMBL6874175 0.82 MMP12 (0.57) MMP12MMP13MAPK1ROCK2ROCK1
SCHEMBL6456642 0.82 MMP12 (0.56) MMP12MMP13MAPK1ROCK2ROCK1
SCHEMBL6461952 0.82 MMP12 (0.55) MMP12MMP13MAPK1ROCK2ROCK1
SCHEMBL6450465 0.81 MMP12 (0.62) MMP12MMP13MAPK1ROCK2ROCK1

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-20040072871-A1 Novel thiophene derivatives, their process of preparation and the pharmaceutical compositions which comprise them WARNER-LAMBERT COMPANY LLC 2004-04-15 US claimed
WO-2004018448-A1 NOVEL THIOPHENE DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME WARNER-LAMBERT COMPANY LLC (US) 2004-03-04 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-20040072871-A1 Novel thiophene derivatives, their process of preparation and the pharmaceutical compositions which comprise them MMP11, MMP13, CBR1 MMP12 7/4885MMP13 2/4885MAPK1 2663/4885

“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.