SCHEMBL6880697

SCHEMBL6880697

O=C(O)Cc1ccc(CNC(=O)c2cc(-c3ccc(B(O)O)cc3)cs2)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 5/20 0.78
TRPV1 Q8NER1 5/20 0.54
RORC P51449 1/20 0.43
EPHX2 P34913 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
FFAR1 O14842 1/20 0.40
MAPK1 P28482 1/20 0.39
LMNA P02545 2/20 0.39
ALDH1A1 P00352 1/20 0.39
ABCC4 O15439 1/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
PTGS1 P23219 1/20 0.39
HTT P42858 1/20 0.39
MMP3 P08254 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 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
SCHEMBL8342379 0.85 MMP12 (0.57) MMP12TRPV1MAPK1ALDH1A1MMP8
SCHEMBL6451834 0.85 MMP12 (0.56) MMP12TRPV1MAPK1MMP3MMP9
SCHEMBL6874960 0.83 MMP12 (0.77) MMP12RORCEPHX2NR1H4RXRA
SCHEMBL8342537 0.83 MMP12 (0.77) MMP12RORCEPHX2NR1H4RXRA
SCHEMBL8341227 0.83 MMP12 (0.77) MMP12MAPK1ALDH1A1MMP8MMP13
SCHEMBL8339276 0.82 MMP12 (0.75) MMP12TRPV1RORCEPHX2NR1H4
SCHEMBL6874687 0.82 MMP12 (0.83) MMP12RORCEPHX2FFAR1LMNA
SCHEMBL6461928 0.81 MMP12 (1.00) MMP12RORCEPHX2NR1H4FFAR1
SCHEMBL8339549 0.80 MMP12 (0.72) MMP12RORCEPHX2NR1H4RXRA
SCHEMBL6456507 0.80 MMP12 (0.72) MMP12RORCEPHX2NR1H4RXRA

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 1 patent. 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 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 7/4885TRPV1 2306/4885RORC 301/4885

“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.