SCHEMBL4654028

SCHEMBL4654028

Cc1c(CCC(=O)OC(C)(C)C)sc2ccc(Br)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PFKFB3 Q16875 1/20 0.38
PFKFB4 Q16877 1/20 0.38
STING1 Q86WV6 1/20 0.36
MAPT P10636 2/20 0.36
EPM2A O95278 1/20 0.34
PTPN2 P17706 1/20 0.34
PTPN1 P18031 1/20 0.34
PTPN22 Q9Y2R2 1/20 0.34
TBXAS1 P24557 1/20 0.33
AAK1 Q2M2I8 2/20 0.33
PPARA Q07869 1/20 0.32
MEN1 O00255 1/20 0.31
PRNP P04156 1/20 0.31
TP53 P04637 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
PTGFR P43088 3/20 0.31
CCNB2 O95067 1/20 0.31
CDK1 P06493 1/20 0.31

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
SCHEMBL5155667 0.81 PFKFB3 (0.36) PFKFB3PFKFB4MAPTTBXAS1PPARA
SCHEMBL8649522 0.77 CYP2A6 (0.49) MAPTTP53
SCHEMBL4655093 0.75 ALDH1A1 (0.40) STING1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL4655071 0.73 MAPT (0.36) PFKFB3PFKFB4MAPTEPM2APTPN2
SCHEMBL2949405 0.73 PPARA (0.47) MAPTPPARAMEN1KMT2A
SCHEMBL25955671 0.72 CYP2C9 (0.40) MAPTMEN1KMT2AFPR3FPR2
SCHEMBL4654001 0.72 PIM1 (0.34) PFKFB3PFKFB4MAPTEPM2APTPN2
SCHEMBL5154338 0.71 PFKFB3 (0.40) PFKFB3PFKFB4MAPTEPM2APTPN2
SCHEMBL21732908 0.71 MTNR1A (0.44) AAK1MEN1KMT2ASMN1; SMN2FPR3
SCHEMBL4655072 0.70 LMNA (0.38) MAPTMEN1TP53KMT2ASMN1; SMN2

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 4 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
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 PFKFB3 723/4885PFKFB4 577/4885STING1 4461/4885

“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.