SCHEMBL6882573

SCHEMBL6882573

COC(=O)c1cc(-c2ccccc2Br)cs1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 4/20 0.42
ALAD P13716 1/20 0.42
ALDH1A1 P00352 5/20 0.42
HPGD P15428 4/20 0.42
KDM4E B2RXH2 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
ABL1 P00519 1/20 0.41
MAOA P21397 1/20 0.41
ACHE P22303 1/20 0.41
PRKCZ Q05513 2/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPK1 P28482 2/20 0.39
HSD17B10 Q99714 2/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 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
SCHEMBL6450464 0.84 ALAD (0.58) ALADALDH1A1HPGDKDM4ELMNA
SCHEMBL28248347 0.82 ALDH1A1 (0.47) SLC6A3ALDH1A1HPGDKDM4EL3MBTL1
SCHEMBL2326735 0.80 HDAC6 (0.57) ALADALDH1A1HPGDABL1PRKCZ
SCHEMBL6368361 0.77 ALAD (0.71) SLC6A3ALADALDH1A1HPGDL3MBTL1
SCHEMBL6882390 0.77 ABL1 (0.52) ALADALDH1A1HPGDABL1PRKCZ
SCHEMBL1529765 0.73 CES2 (0.59) ALADALDH1A1HPGDKDM4EL3MBTL1
SCHEMBL25351483 0.72 AXL (0.49) ALDH1A1KDM4EL3MBTL1ABL1LMNA
SCHEMBL21713056 0.72 CES2 (0.57) ALADALDH1A1HPGDKDM4EL3MBTL1
SCHEMBL6882926 0.72 ALAD (0.50) ALADALDH1A1ABL1HDAC6OPRD1
SCHEMBL5925098 0.72 KDM4E (0.47) ALADALDH1A1HPGDKDM4EHSD17B10

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 2 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

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 SLC6A3 1033/4885ALAD 3624/4885ALDH1A1 563/4885

“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.