SCHEMBL6450644

SCHEMBL6450644

CSCCCNC(=O)c1cc(-c2ccc(OC(F)(F)F)cc2)cs1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 10/20 0.56
MMP13 P45452 2/20 0.53
ABL1 P00519 1/20 0.46
MMP2 P08253 1/20 0.46
MMP8 P22894 1/20 0.46
HDAC3 O15379 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC4 P56524 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
ULK1 O75385 1/20 0.41
MAPK1 P28482 1/20 0.40
IKBKE Q14164 1/20 0.39
AURKB Q96GD4 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
SCHEMBL6450864 0.84 MMP12 (0.62) MMP12MMP13ABL1MMP2MMP8
SCHEMBL6450513 0.83 MMP12 (0.57) MMP12MMP13ABL1MMP2MMP8
SCHEMBL6875493 0.83 MMP12 (0.59) MMP12MMP13ABL1MMP2MMP8
SCHEMBL6882916 0.81 MMP12 (0.55) MMP12MMP13ABL1MMP2MMP8
SCHEMBL6451855 0.80 MMP12 (0.60) MMP12MMP13ABL1MMP2MMP8
SCHEMBL6451092 0.79 MMP12 (0.59) MMP12MMP13ABL1MMP2MMP8
SCHEMBL6468492 0.79 MMP12 (0.63) MMP12MMP13ABL1MMP2MMP8
SCHEMBL6450492 0.77 MMP12 (0.60) MMP12MMP13ABL1MMP2MMP8
SCHEMBL6462719 0.77 MMP12 (0.64) MMP12MMP13ABL1HDAC3HDAC1
SCHEMBL6463535 0.77 MMP12 (0.88) MMP12MMP13ABL1MMP2MMP8

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 3 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 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 7/4885MMP13 2/4885ABL1 2800/4885

“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.