SCHEMBL6451716

SCHEMBL6451716

O=C(NCC1CCCC1)c1cc(-c2ccc(OC(F)(F)F)cc2)cs1

nearest known ligand 0.81

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 10/20 0.81
HDAC6 Q9UBN7 5/20 0.56
HDAC4 P56524 3/20 0.56
MMP13 P45452 2/20 0.53
HDAC3 O15379 2/20 0.48
HDAC1 Q13547 1/20 0.48
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
ABL1 P00519 1/20 0.45
MLYCD O95822 1/20 0.43
MMP2 P08253 1/20 0.42
MMP8 P22894 1/20 0.42
EP300 Q09472 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
SCHEMBL6463535 0.96 MMP12 (0.88) MMP12HDAC6HDAC4MMP13HDAC3
SCHEMBL6369582 0.90 MMP12 (1.00) MMP12HDAC6HDAC4MMP13HDAC3
SCHEMBL6881318 0.90 MMP12 (0.82) MMP12HDAC6HDAC4MMP13KDM4E
SCHEMBL6879815 0.90 MMP12 (1.00) MMP12HDAC6HDAC4MMP13HDAC3
SCHEMBL6880762 0.88 MMP12 (0.76) MMP12HDAC6HDAC4MMP13HDAC3
SCHEMBL6882610 0.88 MMP12 (0.82) MMP12HDAC6HDAC4MMP13ABL1
SCHEMBL8337541 0.88 MMP12 (0.76) MMP12HDAC6HDAC4MMP13KDM4E
SCHEMBL6882612 0.88 MMP12 (0.82) MMP12HDAC6HDAC4MMP13ABL1
SCHEMBL6370860 0.85 MMP12 (0.78) MMP12HDAC6HDAC4MMP13POLB
SCHEMBL6370857 0.85 MMP12 (0.78) MMP12HDAC6HDAC4MMP13POLB

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 8 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
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
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 7/4885HDAC6 611/4885HDAC4 484/4885

“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.