SCHEMBL6452054

SCHEMBL6452054

O=C(NCCN1CCOCC1)c1cc(-c2ccc(OC(F)(F)F)cc2)cs1

nearest known ligand 0.77

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 10/20 0.77
MMP13 P45452 2/20 0.77
MMP2 P08253 1/20 0.77
MMP8 P22894 1/20 0.77
EPHX2 P34913 1/20 0.60
ULK1 O75385 2/20 0.56
CD274 Q9NZQ7 4/20 0.54
ABL1 P00519 2/20 0.52
BCR P11274 1/20 0.52
HPGD P15428 1/20 0.49

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
SCHEMBL6450802 0.89 MMP12 (0.74) MMP12MMP13MMP2MMP8EPHX2
SCHEMBL6451858 0.88 MMP12 (0.60) MMP12MMP13MMP2MMP8EPHX2
SCHEMBL6451826 0.88 MMP12 (0.73) MMP12MMP13MMP2MMP8EPHX2
SCHEMBL6450822 0.87 MMP12 (1.00) MMP12MMP13MMP2MMP8ULK1
SCHEMBL6455697 0.87 MMP12 (0.79) MMP12MMP13MMP2MMP8EPHX2
SCHEMBL6456525 0.86 MMP12 (0.82) MMP12MMP13MMP2MMP8EPHX2
SCHEMBL6454268 0.84 MMP12 (0.83) MMP12MMP13MMP2MMP8ULK1
SCHEMBL6462835 0.84 MMP12 (1.00) MMP12MMP13MMP2MMP8ULK1
SCHEMBL6469944 0.84 MMP12 (0.78) MMP12MMP13MMP2MMP8ULK1
SCHEMBL6462814 0.83 MMP12 (0.82) MMP12MMP13MMP2MMP8ULK1

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-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 7/4885MMP13 2/4885MMP2 14/4885

“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.