SCHEMBL4656277

SCHEMBL4656277

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 2/20 0.38
KMT2A Q03164 2/20 0.38
CES2 O00748 1/20 0.38
CSNK1D P48730 3/20 0.37
CISD2 Q8N5K1 1/20 0.36
MEN1 O00255 1/20 0.35
LMNA P02545 2/20 0.35
HSD11B1 P28845 1/20 0.35
STING1 Q86WV6 1/20 0.35
DYRK1A Q13627 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
ESR1 P03372 1/20 0.35
CNR1 P21554 2/20 0.35
CNR2 P34972 2/20 0.35
TBXAS1 P24557 1/20 0.35
TP53 P04637 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
SCHEMBL4657231 0.87 GSK3B (0.40) KDM4EKMT2ACES2CSNK1DMEN1
SCHEMBL14469020 0.85 NOD2 (0.39) CES2CSNK1DLMNAESR1TBXAS1
SCHEMBL4655147 0.84 GSK3B (0.38) ALDH1A1KMT2ACES2CSNK1DMEN1
SCHEMBL4654196 0.83 AR (0.40) ALDH1A1CSNK1DLMNAHSD11B1TP53
SCHEMBL4655064 0.82 LMNA (0.36) KDM4EALDH1A1HPGDHTTKMT2A
SCHEMBL14469135 0.82 LMNA (0.36) KDM4EALDH1A1HPGDHTTKMT2A
SCHEMBL4655063 0.82 LMNA (0.36) KDM4EALDH1A1HPGDHTTKMT2A
SCHEMBL717432 0.81 ALDH1A1 (0.48) KDM4EALDH1A1HPGDKMT2ACES2
SCHEMBL2721181 0.79 GPR35 (0.54) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL6840332 0.79 DYRK1A (0.44) ALDH1A1HPGDKMT2ACES2CSNK1D

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
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 KDM4E 978/4885ALDH1A1 224/4885HPGD 1189/4885

“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.