SCHEMBL6457989

SCHEMBL6457989

O=C(NCCN1CCOCC1)c1cc(-c2ccc(-c3cccnc3)cc2)cs1

nearest known ligand 0.81

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 5/20 0.81
MMP2 P08253 1/20 0.68
MMP8 P22894 1/20 0.68
MMP13 P45452 1/20 0.68
WNT1 P04628 1/20 0.61
DYRK1A Q13627 1/20 0.61
ULK1 O75385 1/20 0.58
CD274 Q9NZQ7 2/20 0.56
HPGD P15428 1/20 0.54
MAPK1 P28482 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
LMNA P02545 1/20 0.52
KMT2A Q03164 1/20 0.52

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
SCHEMBL6450445 0.90 MMP12 (1.00) MMP12MMP2MMP8MMP13ULK1
SCHEMBL6462835 0.89 MMP12 (1.00) MMP12MMP2MMP8MMP13ULK1
SCHEMBL4925661 0.88 MMP12 (0.61) MMP12MMP2MMP8MMP13WNT1
SCHEMBL6451950 0.85 MMP12 (0.80) MMP12MMP2MMP8MMP13ULK1
SCHEMBL6454268 0.84 MMP12 (0.83) MMP12MMP2MMP8MMP13ULK1
SCHEMBL14082516 0.84 CD274 (0.77) WNT1DYRK1ACD274HPGDSMN1; SMN2
SCHEMBL6468818 0.84 MMP12 (0.82) MMP12MMP2MMP8MMP13ULK1
SCHEMBL6457123 0.83 MMP12 (0.82) MMP12MMP2MMP8MMP13ULK1
SCHEMBL6470083 0.83 MMP12 (0.82) MMP12MMP2MMP8MMP13ULK1
SCHEMBL6462814 0.83 MMP12 (0.82) MMP12MMP2MMP8MMP13ULK1

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 9 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
EP-1394159-A1 New thiophene derivatives, process for their preparation and pharmaceutical compositions containing them Warner-Lambert Company LLC (US) 2004-03-03 EP 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 7/4885MMP2 14/4885MMP8 37/4885

“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.