SCHEMBL2803574

SCHEMBL2803574

CC(C)CCC(=O)Nc1ccc2nc(-c3ccc(Oc4ccccc4C(F)(F)F)cc3)[nH]c2c1

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCD O00767 2/20 0.54
CHEK2 O96017 1/20 0.52
KDR P35968 1/20 0.47
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
MMP13 P45452 1/20 0.47
EGFR P00533 1/20 0.47

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
SCHEMBL2803254 0.87 SCD (0.54) SCDKDRMMP2MMP9MMP8
SCHEMBL2805951 0.87 CHEK2 (0.57) CHEK2KDRMMP2MMP9MMP8
SCHEMBL2802968 0.87 SCD (0.54) SCDCHEK2
SCHEMBL2808586 0.86 MMP2 (0.62) SCDCHEK2MMP2MMP9MMP8
SCHEMBL2321367 0.82 SCD (0.56) SCDCHEK2
SCHEMBL2805768 0.82 SCD (0.72) SCDCHEK2KDR
SCHEMBL2805121 0.81 SCD (0.71) SCDCHEK2KDREGFR
SCHEMBL2803576 0.78 CHEK2 (0.55) SCDCHEK2
SCHEMBL2321480 0.77 CHEK2 (0.62) SCDCHEK2
SCHEMBL2321478 0.77 CHEK2 (0.72) SCDCHEK2

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-20100240580-A1 AZOLOARINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, PHARMACEUTICALS CONTAINING THESE COMPOUNDS AND THE USE THEREOF SANOFI-AVENTIS (FR) 2010-09-23 US claimed
US-20100240580-A1 AZOLOARINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, PHARMACEUTICALS CONTAINING THESE COMPOUNDS AND THE USE THEREOF SANOFI-AVENTIS (FR) 2010-09-23 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-20100240580-A1 AZOLOARINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, PHARMACEUTICALS CONTAINING THESE COMPOUNDS AND THE USE THEREOF CYP3A43, CYP11B1, CYP11B2 SCD 3183/4885CHEK2 3959/4885KDR 3982/4885

“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.