SCHEMBL6450822

SCHEMBL6450822

COc1ccc(-c2csc(C(=O)NCCN3CCOCC3)c2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 5/20 1.00
MMP2 P08253 1/20 1.00
MMP8 P22894 1/20 1.00
MMP13 P45452 1/20 1.00
LMNA P02545 1/20 0.60
TDP1 Q9NUW8 2/20 0.58
GAA P10253 2/20 0.58
CYP2C9 P11712 2/20 0.58
CYP2C19 P33261 1/20 0.58
KMT2A Q03164 1/20 0.58
ALDH1A1 P00352 5/20 0.57
HSD17B10 Q99714 2/20 0.57
MAPT P10636 2/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
KDM4E B2RXH2 3/20 0.56
POLB P06746 3/20 0.56
TP53 P04637 1/20 0.56
ALOX15 P16050 1/20 0.56
HPGD P15428 1/20 0.56

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
SCHEMBL8343094 0.88 MMP12 (0.82) MMP12MMP2MMP8MMP13ALDH1A1
SCHEMBL6469822 0.88 MMP12 (0.79) MMP12MMP2MMP8MMP13LMNA
SCHEMBL6454268 0.87 MMP12 (0.83) MMP12MMP2MMP8MMP13LMNA
SCHEMBL6462835 0.87 MMP12 (1.00) MMP12MMP2MMP8MMP13LMNA
SCHEMBL6452054 0.87 MMP12 (0.77) MMP12MMP2MMP8MMP13HPGD
SCHEMBL8340691 0.87 MMP12 (0.77) MMP12MMP2MMP8MMP13LMNA
SCHEMBL6461948 0.86 MMP12 (1.00) MMP12MMP2MMP8MMP13POLB
SCHEMBL6469944 0.86 MMP12 (0.78) MMP12MMP2MMP8MMP13ALDH1A1
SCHEMBL6470083 0.86 MMP12 (0.82) MMP12MMP2MMP8MMP13LMNA
SCHEMBL6462814 0.86 MMP12 (0.82) MMP12MMP2MMP8MMP13LMNA

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 6 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-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 7/4885MMP2 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.