SCHEMBL4657231

SCHEMBL4657231

CCCC(=O)c1sc2cc(C(F)(F)F)ccc2c1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.40
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
DYRK1A Q13627 2/20 0.38
HSD11B1 P28845 1/20 0.38
ESR1 P03372 1/20 0.37
LMNA P02545 2/20 0.37
TP53 P04637 1/20 0.37
CSNK1D P48730 1/20 0.37
GPR35 Q9HC97 1/20 0.36
CES2 O00748 1/20 0.36
PPARA Q07869 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TBXAS1 P24557 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAPT P10636 2/20 0.35
NPC1 O15118 1/20 0.35
GAA P10253 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
SCHEMBL4655147 0.94 GSK3B (0.38) GSK3BMEN1KMT2ADYRK1AHSD11B1
SCHEMBL4656277 0.87 KDM4E (0.38) MEN1KMT2ADYRK1AHSD11B1ESR1
SCHEMBL14469020 0.87 NOD2 (0.39) GSK3BESR1LMNATP53CSNK1D
SCHEMBL4655051 0.83 SMN1; SMN2 (0.39) GSK3BMEN1KMT2ADYRK1AHSD11B1
SCHEMBL6840332 0.83 DYRK1A (0.44) MEN1KMT2ADYRK1AESR1CSNK1D
SCHEMBL2721181 0.83 GPR35 (0.54) MEN1KMT2ADYRK1AESR1LMNA
SCHEMBL6840329 0.82 MEN1 (0.40) MEN1KMT2ADYRK1AESR1CSNK1D
SCHEMBL4654196 0.81 AR (0.40) HSD11B1LMNATP53CSNK1D
SCHEMBL4654299 0.80 LMNA (0.38) GSK3BMEN1KMT2AESR1LMNA
SCHEMBL14469041 0.80 LMNA (0.38) GSK3BMEN1KMT2AESR1LMNA

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 7 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
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 GSK3B 3750/4885MEN1 3656/4885KMT2A 1404/4885

“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.