SCHEMBL6663858

SCHEMBL6663858

O=C(O)c1ccc(CNC(=O)c2cc(-c3ccc(OC(F)(F)F)cc3)cs2)cc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 7/20 0.59
MMP13 P45452 1/20 0.55
EPHX2 P34913 4/20 0.53
NR1H4 Q96RI1 2/20 0.53
PPARA Q07869 4/20 0.53
PPARG P37231 2/20 0.52
PTGER4 P35408 2/20 0.51
MAPK1 P28482 1/20 0.49
ROCK2 O75116 1/20 0.49
ROCK1 Q13464 1/20 0.49
HTR2C P28335 1/20 0.49
MAPK14 Q16539 1/20 0.47
PPARD Q03181 1/20 0.46
ABL1 P00519 1/20 0.46

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
SCHEMBL6462719 0.90 MMP12 (0.64) MMP12MMP13EPHX2NR1H4PPARA
SCHEMBL6456507 0.89 MMP12 (0.72) MMP12MMP13EPHX2NR1H4PPARA
SCHEMBL6458023 0.89 MMP12 (0.56) MMP12MMP13NR1H4PPARAMAPK1
SCHEMBL6667161 0.88 MMP12 (0.60) MMP12MMP13EPHX2NR1H4PPARA
SCHEMBL6874175 0.88 MMP12 (0.57) MMP12MMP13EPHX2NR1H4PPARA
SCHEMBL8337355 0.88 MMP12 (0.60) MMP12MMP13EPHX2NR1H4PPARA
SCHEMBL6457608 0.86 MMP12 (0.55) MMP12MMP13PPARAMAPK1ROCK2
SCHEMBL6881373 0.86 MMP12 (0.55) MMP12MMP13EPHX2NR1H4PPARA
SCHEMBL6455464 0.86 NPC1 (0.61) MMP12MMP13EPHX2NR1H4PPARG
SCHEMBL6456642 0.83 MMP12 (0.56) MMP12MMP13EPHX2NR1H4PPARA

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 7 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
EP-1394159-A1 New thiophene derivatives, process for their preparation and pharmaceutical compositions containing them Warner-Lambert Company LLC (US) 2004-03-03 EP claimed
US-20040171543-A1 Matrix metalloproteinase inhibitors and methods for identification of lead compounds WARNER-LAMBERT COMPANY LLC 2004-09-02 US disclosed
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
EP-1394159-A1 New thiophene derivatives, process for their preparation and pharmaceutical compositions containing them Warner-Lambert Company LLC (US) 2004-03-03 EP disclosed
WO-2004014381-A2 MATRIX METALLOPROTEINASE INHIBITORS AND METHODS FOR IDENTIFICATION OF LEAD COMPOUNDS WARNER-LAMBERT COMPANY LLC. (US) 2004-02-19 WO disclosed
WO-2004014867-A2 MATRIX METALLOPROTEINASE INHIBITORS AND METHODS FOR IDENTIFICATION OF LEAD COMPOUNDS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 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 (2 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-20040171543-A1 Matrix metalloproteinase inhibitors and methods for identification of lead compounds MMP13, MMP3, MMP26 MMP12 4/4885MMP13 1/4885EPHX2 1992/4885
US-20040072871-A1 Novel thiophene derivatives, their process of preparation and the pharmaceutical compositions which comprise them MMP11, MMP13, CBR1 MMP12 7/4885MMP13 2/4885EPHX2 1035/4885

“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.