SCHEMBL6450834

SCHEMBL6450834

O=C(O)C=Cc1ccc(NC(=O)c2cc(-c3ccc(OC(F)(F)F)cc3)cs2)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.54
MMP12 P39900 5/20 0.53
MMP13 P45452 1/20 0.53
KMT2A Q03164 1/20 0.50
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
ESR1 P03372 4/20 0.46
IP6K1 Q92551 1/20 0.46
IP6K3 Q96PC2 1/20 0.46
IP6K2 Q9UHH9 1/20 0.46
EPHX2 P34913 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
TRPV1 Q8NER1 2/20 0.42
SCN10A Q9Y5Y9 1/20 0.42

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
SCHEMBL6875475 0.87 MMP12 (0.52) ABL1MMP12MMP13CA12CA1
SCHEMBL8342633 0.87 MMP12 (0.52) ABL1MMP12MMP13CA12CA1
SCHEMBL6152695 0.85 MMP12 (0.67) ABL1MMP12MMP13KMT2AEPHX2
SCHEMBL6463245 0.81 MMP12 (0.56) ABL1MMP12MMP13KMT2AEPHX2
SCHEMBL6141803 0.81 ABL1 (0.57) ABL1MMP12MMP13EPHX2TRPV1
SCHEMBL6451590 0.81 ABL1 (0.57) ABL1MMP12MMP13SCN10A
SCHEMBL6450855 0.80 MMP12 (0.55) ABL1MMP12MMP13EPHX2TRPV1
SCHEMBL7970101 0.80 IP6K1 (0.60) KMT2ACA12CA1CA2CA9
SCHEMBL7970105 0.80 IP6K1 (0.60) KMT2ACA12CA1CA2CA9
SCHEMBL8342310 0.77 MMP12 (0.59) ABL1MMP12MMP13KMT2ASCN10A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1534700-A1 NOVEL THIOPHENE DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME WARNER-LAMBERT COMPANY LLC (US) 2005-06-01 EP 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 claimed
WO-2004018448-A1 NOVEL THIOPHENE DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME WARNER-LAMBERT COMPANY LLC (US) 2004-03-04 WO 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-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 ABL1 2800/4885MMP12 7/4885MMP13 2/4885

“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.