SCHEMBL6527574

SCHEMBL6527574

CSc1ccc(-c2csc(C(=O)NCc3ccc(C(=O)O)cc3)c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 4/20 0.60
NR1H4 Q96RI1 8/20 0.51
EPHX2 P34913 6/20 0.51
MMP13 P45452 1/20 0.45
KMT2A Q03164 1/20 0.44
MLLT3 P42568 1/20 0.43
MLLT1 Q03111 1/20 0.43
HAO1 Q9UJM8 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 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
SCHEMBL6882443 0.86 MMP12 (0.52) MMP12NR1H4EPHX2MMP13KMT2A
SCHEMBL6871411 0.84 NR1H4 (0.67) MMP12NR1H4EPHX2KMT2AHDAC3
SCHEMBL6455464 0.84 NPC1 (0.61) MMP12NR1H4EPHX2MMP13KMT2A
SCHEMBL6663858 0.79 MMP12 (0.59) MMP12NR1H4EPHX2MMP13
SCHEMBL6450604 0.76 NR1H4 (0.52) MMP12NR1H4EPHX2MMP13KMT2A
SCHEMBL8339276 0.76 MMP12 (0.75) MMP12NR1H4EPHX2HDAC3HDAC4
SCHEMBL6456631 0.75 MMP12 (0.57) MMP12NR1H4KMT2A
SCHEMBL8341227 0.73 MMP12 (0.77) MMP12MMP13HDAC3HDAC4HDAC1
SCHEMBL8339549 0.73 MMP12 (0.72) MMP12NR1H4EPHX2KMT2AHDAC3
SCHEMBL6873364 0.72 MMP12 (0.74) MMP12NR1H4EPHX2MMP13HDAC3

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
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
EP-1534700-A1 NOVEL THIOPHENE DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME WARNER-LAMBERT COMPANY LLC (US) 2005-06-01 EP 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
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 7/4885NR1H4 251/4885EPHX2 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.