SCHEMBL6142371

SCHEMBL6142371

CC(=O)c1ccc(-c2ccc(-c3csc(C(=O)O)c3)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALAD P13716 2/20 0.65
▸ MAPT P10636 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ MMP12 P39900 1/20 0.49
▸ HSD17B1 P14061 3/20 0.48
▸ DAO P14920 3/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.45
▸ KIF11 P52732 1/20 0.44
▸ HPGD P15428 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ RXRA P19793 1/20 0.41
▸ RXRB P28702 1/20 0.41
▸ IKBKE Q14164 1/20 0.40
▸ TBK1 Q9UHD2 1/20 0.40
▸ GSK3B P49841 1/20 0.40
▸ XDH P47989 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
Hydrochloric Acid SCHEMBL6368905 0.98 ALAD (0.63) ALADMAPTSMN1; SMN2MMP12HSD17B1
SCHEMBL6373405 0.85 MMP12 (0.52) ALADMAPTSMN1; SMN2MMP12HSD17B1
SCHEMBL6141881 0.85 MMP12 (0.48) ALADMAPTSMN1; SMN2MMP12HSD17B1
SCHEMBL6141879 0.85 MMP12 (0.48) ALADMAPTSMN1; SMN2MMP12HSD17B1
SCHEMBL1800477 0.82 ALAD (0.69) ALADSMN1; SMN2MMP12DAOHDAC6
SCHEMBL4149291 0.82 ALAD (0.59) ALADMAPTSMN1; SMN2MMP12DAO
SCHEMBL6450949 0.80 ALAD (0.71) ALADMAPTMMP12HSD17B1DAO
SCHEMBL505511 0.80 ALAD (0.70) ALADMMP12DAOHDAC6MEN1
SCHEMBL6455231 0.79 ALAD (0.59) ALADMAPTSMN1; SMN2DAOHPGD
SCHEMBL6143622 0.79 ALAD (0.69) ALADMAPTMMP12DAOHDAC6

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050014816-A1 Thiophene amino acid derivatives, process for preparing them and pharmaceutical compositions containing them PFIZER INC 2005-01-20 — — US 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
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

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-20040072871-A1 Novel thiophene derivatives, their process of preparation and the pharmaceutical compositions which comprise them MMP11, MMP13, CBR1 ALAD 3624/4885MAPT 3516/4885SMN1; SMN2 3494/4885
US-20050014816-A1 Thiophene amino acid derivatives, process for preparing them and pharmaceutical compositions containing them MMP12, MMP9, MMP13 ALAD 1994/4885MAPT 4604/4885SMN1; SMN2 3656/4885

“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.

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