SCHEMBL2803254

SCHEMBL2803254

CC(C)CCC(=O)Nc1ccc2nc(-c3ccc(Oc4ccccc4Cl)cc3)[nH]c2c1

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCD O00767 3/20 0.54
NR2E3 Q9Y5X4 3/20 0.54
KDR P35968 3/20 0.54
EGFR P00533 1/20 0.52
MMP2 P08253 1/20 0.49
MMP9 P14780 1/20 0.49
MMP8 P22894 1/20 0.49
MMP13 P45452 1/20 0.49

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
SCHEMBL2805951 0.89 CHEK2 (0.57) KDREGFRMMP2MMP9MMP8
SCHEMBL2803574 0.87 SCD (0.54) SCDKDREGFRMMP2MMP9
SCHEMBL2807439 0.85 SCD (0.69) SCDNR2E3KDREGFR
SCHEMBL2804172 0.81 SCD (0.69) SCDNR2E3KDREGFR
SCHEMBL2315020 0.81 SCD (0.58) SCD
SCHEMBL2803272 0.81 SCD (0.71) SCDNR2E3KDREGFR
SCHEMBL2803257 0.77 CHEK2 (0.51) SCD
SCHEMBL2316768 0.76 SCD (0.59) SCD
SCHEMBL2316764 0.76 CHEK2 (0.77) SCD
SCHEMBL2802971 0.75 MMP2 (0.73) MMP2MMP9MMP8MMP13

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 3183/4885NR2E3 981/4885KDR 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.