SCHEMBL4655217

SCHEMBL4655217

Cc1c(CCCO)sc2ccc(C(F)(F)F)cc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PIM1 P11309 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
KIF11 P52732 2/20 0.37
MAPT P10636 1/20 0.36
TLR8 Q9NR97 2/20 0.34
TBXAS1 P24557 1/20 0.34
ROCK1 Q13464 1/20 0.34
DYRK1A Q13627 1/20 0.33
DHODH Q02127 1/20 0.33
CTSK P43235 1/20 0.32
KCNH2 Q12809 1/20 0.32
G6PD P11413 1/20 0.32
TLR9 Q9NR96 1/20 0.32
EPM2A O95278 1/20 0.32
PTPN2 P17706 1/20 0.32
PTPN1 P18031 1/20 0.32
PTPN22 Q9Y2R2 1/20 0.32
GRIN2B Q13224 1/20 0.32

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
SCHEMBL4654124 0.86 PIM1 (0.37) MEN1KMT2APIM1PIM2KIF11
SCHEMBL1076818 0.85 MEN1 (0.42) MEN1KMT2APIM1PIM2KIF11
SCHEMBL4655071 0.78 MAPT (0.36) MEN1KMT2APIM1PIM2MAPT
SCHEMBL14469140 0.78 PPARD (0.39)
SCHEMBL4655072 0.77 LMNA (0.38) MEN1KMT2AMAPT
SCHEMBL4655062 0.76 MEN1 (0.36) MEN1KMT2AKIF11TLR8DYRK1A
SCHEMBL4655144 0.75 SIRT2 (0.34) MEN1KMT2APIM1PIM2KIF11
SCHEMBL27829362 0.74 KCNK3 (0.41) MEN1KMT2AKIF11MAPTTBXAS1
SCHEMBL1075156 0.74 MEN1 (0.39) MEN1KMT2AKIF11MAPTTBXAS1
SCHEMBL1032891 0.73 BCL2L1 (0.37) MEN1KMT2AMAPTTBXAS1DYRK1A

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-1740568-B1 BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES USEFUL FOR THE TREATMENT OF CARDIOVASCULAR DISEASE. SMITHKLINE BEECHAM CORP (US) 2008-11-26 EP disclosed
EP-1740568-B1 BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES USEFUL FOR THE TREATMENT OF CARDIOVASCULAR DISEASE. SMITHKLINE BEECHAM CORP (US) 2008-11-26 EP disclosed
US-20070155805-A1 Benzofuran and bezothiophene derivatives useful for the treatment of cardiovascular disease SMITHKLINE BEECHAM CORPORATION 2007-07-05 US disclosed
US-20070155805-A1 Benzofuran and bezothiophene derivatives useful for the treatment of cardiovascular disease SMITHKLINE BEECHAM CORPORATION 2007-07-05 US disclosed
EP-1740568-A2 BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES USEFUL FOR THE TREATMENT OF CARDIOVASCULAR DISEASE. SMITHKLINE BEECHAM CORPORATION (US) 2007-01-10 EP disclosed
WO-2005077926-A2 BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES USEFUL FOR THE TREATMENT OF CARDIOVASCULAR DISEASE SMITHKLINE BEECHAM CORPORATION (US) 2005-08-25 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-20070155805-A1 Benzofuran and bezothiophene derivatives useful for the treatment of cardiovascular disease ABAT, BPTF, TNNT2 MEN1 3656/4885KMT2A 1404/4885PIM1 2402/4885

“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.