SCHEMBL4655147

SCHEMBL4655147

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.38
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD11B1 P28845 1/20 0.36
DYRK1A Q13627 1/20 0.36
ESR1 P03372 1/20 0.35
RORA P35398 1/20 0.35
RORC P51449 1/20 0.35
RORB Q92753 1/20 0.35
HTR7 P34969 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
CSNK1D P48730 1/20 0.35
RXFP1 Q9HBX9 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 0.94 GSK3B (0.40) GSK3BMAPTMEN1KMT2AHSD11B1
SCHEMBL4655051 0.90 SMN1; SMN2 (0.39) GSK3BALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL14469020 0.89 NOD2 (0.39) GSK3BESR1LMNATP53CSNK1D
SCHEMBL4656277 0.84 KDM4E (0.38) ALDH1A1MAPTMEN1KMT2AHSD11B1
SCHEMBL4654218 0.83 HTR7 (0.48) MAPTSMN1; SMN2HSD11B1ESR1HTR7
SCHEMBL4655111 0.81 LMNA (0.36) GSK3BALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL4655114 0.81 LMNA (0.36) GSK3BALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL14016146 0.81 LMNA (0.36) GSK3BALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL2721181 0.80 GPR35 (0.54) ALDH1A1SMN1; SMN2MEN1KMT2ADYRK1A
SCHEMBL6840332 0.80 DYRK1A (0.44) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A

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 3750/4885ALDH1A1 224/4885MAPT 1081/4885

“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.