SCHEMBL4070924

SCHEMBL4070924

CCCCCCS(=O)(=O)/C(C#N)=C/c1cc(C(C)C)c(O)c(C(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.47
MAPT P10636 2/20 0.41
KDR P35968 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2B6 P20813 1/20 0.36
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL4070927 1.00 EGFR (0.47) EGFRMAPTKDRSMN1; SMN2CYP1A2
SCHEMBL4070930 1.00 EGFR (0.47) EGFRMAPTKDRSMN1; SMN2CYP1A2
SCHEMBL4565432 0.81 EGFR (0.52) EGFRMAPTKDRSMN1; SMN2CYP1A2
SCHEMBL4565433 0.81 EGFR (0.52) EGFRMAPTKDRSMN1; SMN2CYP1A2
SCHEMBL4565434 0.81 EGFR (0.52) EGFRMAPTKDRSMN1; SMN2CYP1A2
SCHEMBL4069985 0.81 MEN1 (0.50) EGFRMAPTSMN1; SMN2CYP1A2CYP3A4
SCHEMBL4072506 0.81 MEN1 (0.50) EGFRMAPTSMN1; SMN2CYP1A2CYP3A4
SCHEMBL17407586 0.81 MEN1 (0.50) EGFRMAPTSMN1; SMN2CYP1A2CYP3A4
SCHEMBL4069993 0.81 MEN1 (0.50) EGFRMAPTSMN1; SMN2CYP1A2CYP3A4
SCHEMBL4069988 0.81 MEN1 (0.50) EGFRMAPTSMN1; SMN2CYP1A2CYP3A4

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1625112-B1 NOVEL COMPOUNDS FOR TREATMENT OF OBESITY HIGH POINT PHARMACEUTICALS LLC (US) 2009-07-22 EP claimed
JP-2007503453-A 2007-02-22 JP claimed
US-20060128662-A1 Novel compounds for treatment of obesity NOVO NORDISK A/S (DK) 2006-06-15 US claimed
EP-1625112-A1 NOVEL COMPOUNDS FOR TREATMENT OF OBESITY NOVO NORDISK A/S (DK) 2006-02-15 EP claimed
WO-2004101505-A1 NOVEL COMPOUNDS FOR TREATMENT OF OBESITY NOVO NORDISK A/S (DK) 2004-11-25 WO claimed
EP-1625112-B1 NOVEL COMPOUNDS FOR TREATMENT OF OBESITY HIGH POINT PHARMACEUTICALS LLC (US) 2009-07-22 EP disclosed
US-20060128662-A1 Novel compounds for treatment of obesity NOVO NORDISK A/S (DK) 2006-06-15 US disclosed
EP-1625112-A1 NOVEL COMPOUNDS FOR TREATMENT OF OBESITY NOVO NORDISK A/S (DK) 2006-02-15 EP disclosed
WO-2004101505-A1 NOVEL COMPOUNDS FOR TREATMENT OF OBESITY NOVO NORDISK A/S (DK) 2004-11-25 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-20060128662-A1 Novel compounds for treatment of obesity GPR119, FABP4, HSD17B4 EGFR 4687/4885MAPT 4680/4885KDR 3542/4885

“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.