SCHEMBL3597065

SCHEMBL3597065

CC(C)(Oc1cc(C#N)cc(Oc2ccc(S(C)(=O)=O)cc2)c1)OC1CCCCO1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 17/20 0.41
PTGS2 P35354 1/20 0.37
VEGFA P15692 4/20 0.36
GCK P35557 2/20 0.36
CYP2C9 P11712 1/20 0.35
ARNT P27540 1/20 0.35
CYP2C19 P33261 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
SCHEMBL3588751 0.87 GCK (0.41) PTGS2GCK
SCHEMBL3597061 0.79 GCK (0.41) EPAS1GCK
SCHEMBL3600893 0.78
SCHEMBL9986974 0.71 CYP11B1 (0.44) EPAS1PTGS2GCK
SCHEMBL2085432 0.69 EPAS1 (0.57) EPAS1PTGS2VEGFA
SCHEMBL3600059 0.68 GCK (0.60) GCK
SCHEMBL10951291 0.67 PTGS2 (0.57) PTGS2
SCHEMBL3588747 0.67 GCK (0.50) GCK
SCHEMBL1262231 0.66 MEN1 (0.46) PTGS2GCKCYP2C9
SCHEMBL3607261 0.66

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7700640-B2 Process for making phenoxy benzamide compounds ASTRAZENECA AB (SE) 2010-04-20 US disclosed
US-20080200694-A1 Process for Making Phenoxy Benzamide Compounds ASTRAZENECA AB (SE) 2008-08-21 US 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-20080200694-A1 Process for Making Phenoxy Benzamide Compounds PAH, MAOB, TYR EPAS1 3723/4885PTGS2 644/4885VEGFA 4655/4885

“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.