SCHEMBL6874004

SCHEMBL6874004

O=C(O)CCc1cccc(CNC(=O)c2cc(-c3ccc(OC(F)(F)F)cc3)cs2)c1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 7/20 0.55
MMP13 P45452 1/20 0.53
ROCK1 Q13464 2/20 0.50
ROCK2 O75116 1/20 0.50
MAPK14 Q16539 1/20 0.48
HTR2C P28335 1/20 0.45
ABL1 P00519 1/20 0.45
MAPK1 P28482 2/20 0.45
FFAR1 O14842 2/20 0.43
FFAR4 Q5NUL3 1/20 0.43
TRPV1 Q8NER1 1/20 0.42
GCGR P47871 1/20 0.42
PPARG P37231 2/20 0.42
EPHX2 P34913 1/20 0.41
PPARA Q07869 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
SCHEMBL6874175 0.91 MMP12 (0.57) MMP12MMP13ROCK1ROCK2HTR2C
SCHEMBL6450465 0.90 MMP12 (0.62) MMP12MMP13ROCK1ROCK2MAPK14
SCHEMBL6879537 0.88 MMP12 (0.55) MMP12MMP13ROCK1ROCK2MAPK14
SCHEMBL6462719 0.88 MMP12 (0.64) MMP12MMP13ROCK1ROCK2MAPK14
SCHEMBL6458023 0.86 MMP12 (0.56) MMP12MMP13ROCK1ROCK2MAPK14
SCHEMBL6456507 0.83 MMP12 (0.72) MMP12MMP13ROCK1ROCK2HTR2C
SCHEMBL6874949 0.82 MMP12 (0.57) MMP12MMP13ROCK1ROCK2MAPK14
SCHEMBL8337355 0.81 MMP12 (0.60) MMP12MMP13ROCK1ROCK2MAPK14
SCHEMBL6450855 0.81 MMP12 (0.55) MMP12MMP13ABL1FFAR1FFAR4
SCHEMBL6881395 0.81 MMP12 (0.58) MMP12MMP13ROCK1ROCK2MAPK14

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 3 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
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 disclosed
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 2/4885ROCK1 3330/4885

“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.