SCHEMBL6882944

SCHEMBL6882944

O=C(O)CC[C@H]1CC[C@H](NC(=O)c2cc(-c3ccc(OC(F)(F)F)cc3)cs2)CC1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 8/20 0.63
MMP13 P45452 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.44
TRPV1 Q8NER1 1/20 0.42
CHRM2 P08172 2/20 0.42
CHRM1 P11229 2/20 0.42
ABL1 P00519 1/20 0.41
USP30 Q70CQ3 1/20 0.41
FFAR4 Q5NUL3 2/20 0.40
CHRM5 P08912 1/20 0.40
CHRM3 P20309 1/20 0.40
CYP2D6 P10635 1/20 0.40
CHRM4 P08173 1/20 0.40
FAAH O00519 1/20 0.39
EPHX2 P34913 1/20 0.39
SHMT2 P34897 1/20 0.39
FFAR1 O14842 1/20 0.39

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
SCHEMBL6530340 1.00 MMP12 (0.63) MMP12MMP13L3MBTL1TRPV1CHRM2
SCHEMBL6525522 0.91 MMP12 (0.64) MMP12MMP13L3MBTL1TRPV1CHRM2
SCHEMBL6879366 0.91 MMP12 (0.64) MMP12MMP13L3MBTL1TRPV1CHRM2
SCHEMBL6873265 0.91 MMP12 (0.57) MMP12MMP13TRPV1CHRM2CHRM1
SCHEMBL6873269 0.91 MMP12 (0.57) MMP12MMP13TRPV1CHRM2CHRM1
SCHEMBL8337828 0.91 MMP12 (0.57) MMP12MMP13TRPV1CHRM2CHRM1
SCHEMBL6879557 0.90 MMP12 (0.58) MMP12MMP13L3MBTL1TRPV1CHRM2
SCHEMBL6884274 0.90 MMP12 (0.58) MMP12MMP13L3MBTL1TRPV1CHRM2
SCHEMBL6454253 0.90 MMP12 (0.62) MMP12MMP13L3MBTL1TRPV1ABL1
SCHEMBL8342799 0.87 MMP12 (0.59) MMP12MMP13L3MBTL1TRPV1CHRM2

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
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

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 2/4885L3MBTL1 4717/4885

“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.