SCHEMBL6869311

SCHEMBL6869311

Cc1cc(C)cc(-c2csc(C(=O)O)c2)c1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DAO P14920 7/20 0.62
ALAD P13716 2/20 0.56
RXRA P19793 2/20 0.48
RXRB P28702 2/20 0.48
TPMT P51580 1/20 0.43
HDAC6 Q9UBN7 1/20 0.41
CNR2 P34972 2/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
MMP12 P39900 1/20 0.38
IKBKE Q14164 1/20 0.37
TBK1 Q9UHD2 1/20 0.37
GPR35 Q9HC97 1/20 0.37
LDHA P00338 1/20 0.35

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
SCHEMBL1800477 0.83 ALAD (0.69) DAOALADRXRARXRBHDAC6
SCHEMBL27261591 0.82 DAO (0.59) DAOALADHDAC6KDM4EMEN1
SCHEMBL13376205 0.82 DAO (0.55) DAOALADHDAC6CNR2MAPT
SCHEMBL130041 0.77
SCHEMBL505511 0.76 ALAD (0.70) DAOALADHDAC6MEN1KMT2A
SCHEMBL6142253 0.76 ALAD (0.69) DAOALADHDAC6KDM4EALDH1A1
Hydrochloric Acid SCHEMBL11533312 0.75 DAO (0.95) DAOALADTPMTHDAC6KDM4E
SCHEMBL28811311 0.74 ALAD (0.49) DAOALADTPMTKDM4EMEN1
SCHEMBL29951347 0.73 ALAD (0.56) DAOALADHDAC6MMP12IKBKE
SCHEMBL4381926 0.73 ALAD (0.66) DAOALADHDAC6MAPTMMP12

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
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
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
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 DAO 614/4885ALAD 3624/4885RXRA 1015/4885

“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.