SCHEMBL6143579

SCHEMBL6143579

CCCCCc1csc(C(N)=O)c1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.58
HTT P42858 1/20 0.58
GPR84 Q9NQS5 2/20 0.45
MAPT P10636 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
DAO P14920 1/20 0.42
PTGS2 P35354 3/20 0.42
CYP3A4 P08684 1/20 0.42
ICAM1 P05362 1/20 0.41
SELE P16581 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GPR35 Q9HC97 1/20 0.40
KAT8 Q9H7Z6 2/20 0.39
PPARA Q07869 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
SCHEMBL11023368 0.98 HPGD (0.56) HPGDHTTGPR84MAPTNPSR1
SCHEMBL30372303 0.85 GPR35 (0.48) GPR84MAPTNPSR1DAOPTGS2
SCHEMBL6695308 0.84 ALDH1A1 (0.51) HPGDHTTGPR84MAPTNPSR1
SCHEMBL15177362 0.83 MAPT (0.61) HPGDGPR84MAPTNPSR1DAO
SCHEMBL11024967 0.83 DAO (0.58) GPR84MAPTDAOPTGS2ALDH1A1
SCHEMBL11453552 0.83 MAPT (0.61) HPGDGPR84MAPTNPSR1DAO
SCHEMBL11718951 0.83 DAO (0.58) GPR84MAPTDAOPTGS2ALDH1A1
SCHEMBL2490471 0.83 DAO (0.58) GPR84MAPTDAOPTGS2ALDH1A1
SCHEMBL6691497 0.83 ALDH1A1 (0.50) HPGDHTTGPR84MAPTNPSR1
SCHEMBL586684 0.82 PTGS2 (0.43) HPGDHTTPTGS2CYP3A4ALDH1A1

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 disclosed
US-20050014816-A1 Thiophene amino acid derivatives, process for preparing them and pharmaceutical compositions containing them PFIZER INC 2005-01-20 US disclosed
US-20050014817-A1 Fluorothiophene derivatives, process for preparing them and pharmaceutical compositions containing them PFIZER INC 2005-01-20 US disclosed
WO-2005003114-A1 5-FLUORO-THIOPEN-COMPOUNDS,THE PROCESS FOR THEIR PREPARATION,THE PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE AS METALLOPOTENASES INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2005-01-13 WO disclosed
WO-2005003115-A1 THIOPHENE AMINO ACID DERIVATIVES, PROCESS FOR PREPARING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM WARNER-LAMBERT COMPANY LLC (US) 2005-01-13 WO disclosed
EP-1493739-A1 Thiophene derivatives of aminoacids, process for the preparation thereof and compositions containing them Warner-Lambert Company LLC (US) 2005-01-05 EP disclosed
EP-1493740-A1 5-fluoro-thiophene compounds, the process for their prepartion, the pharmaceutical compositions containing them and their use as metalloproteinases inhibitors Warner-Lambert Company LLC (US) 2005-01-05 EP 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 (2 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-20050014817-A1 Fluorothiophene derivatives, process for preparing them and pharmaceutical compositions containing them MMP12, MMP13, MMP11 HPGD 884/4885HTT 3756/4885GPR84 921/4885
US-20050014816-A1 Thiophene amino acid derivatives, process for preparing them and pharmaceutical compositions containing them MMP12, MMP9, MMP13 HPGD 1976/4885HTT 4087/4885GPR84 315/4885

“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.