SCHEMBL4655103

SCHEMBL4655103

Cc1c(C=CC(=O)O)sc2ccc(Br)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PFKFB3 Q16875 1/20 0.41
PFKFB4 Q16877 1/20 0.41
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
RXFP1 Q9HBX9 3/20 0.36
NPC1 O15118 2/20 0.36
EPM2A O95278 1/20 0.35
PTPN2 P17706 1/20 0.35
PTPN1 P18031 1/20 0.35
PTPN22 Q9Y2R2 1/20 0.35
CYP2A6 P11509 1/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
LMNA P02545 1/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
PRNP P04156 1/20 0.34
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL4655102 1.00 PFKFB3 (0.41) PFKFB3PFKFB4KMT2AMEN1RXFP1
SCHEMBL4655145 0.89 ESR1 (0.37) KMT2AMEN1RXFP1NPC1AKR1C3
SCHEMBL4655146 0.89 ESR1 (0.37) KMT2AMEN1RXFP1NPC1AKR1C3
SCHEMBL5154338 0.82 PFKFB3 (0.40) PFKFB3PFKFB4KMT2AMEN1NPC1
SCHEMBL4654254 0.80 ESR1 (0.42) KMT2AMEN1ALDH1A1KDM4EPPARA
SCHEMBL4654250 0.80 ESR1 (0.42) KMT2AMEN1ALDH1A1KDM4EPPARA
SCHEMBL19178907 0.79 TUBB4A (0.48) KMT2AMEN1RXFP1NPC1LMNA
SCHEMBL4655134 0.79 CYP2A6 (0.47) PFKFB3PFKFB4EPM2APTPN2PTPN1
SCHEMBL2896475 0.74 GPR35 (0.58) PFKFB3PFKFB4KMT2AMEN1RXFP1
SCHEMBL14449260 0.72 TTR (0.42) NPC1LMNAALDH1A1SMN1; SMN2MAPT

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 577/4885KMT2A 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.