SCHEMBL3337200

SCHEMBL3337200

COC(=O)CCC(=O)OC1CCN(c2nc3nc(CCC(=O)OC)[nH]c(=O)c3s2)CC1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCD O00767 5/20 0.56
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 2/20 0.33
HSD17B10 Q99714 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HRH3 Q9Y5N1 4/20 0.31
EGFR P00533 2/20 0.31
TLR7 Q9NYK1 1/20 0.31
PSMD14 O00487 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
PABPC1 P11940 1/20 0.30
CASP1 P29466 1/20 0.30
CASP7 P55210 1/20 0.30

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
SCHEMBL3333096 0.89 SCD (0.52) SCDSMN1; SMN2KDM4EHSD17B10ALDH1A1
SCHEMBL3335975 0.83 SCD (0.77) SCD
SCHEMBL3336697 0.83 SCD (0.84) SCD
SCHEMBL13301762 0.81 SCD (0.72) SCDSMN1; SMN2EGFRTP53MAPT
SCHEMBL14037195 0.72 SCD (0.67) SCD
SCHEMBL3336807 0.72 SCD (1.00) SCD
SCHEMBL3342320 0.72 SCD (0.80) SCD
SCHEMBL13301823 0.70 SCD (0.80) SCD
SCHEMBL3338977 0.69 SCD (0.74) SCDSMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL14872947 0.65 SCD (0.56) SCDKDM4EALDH1A1HPGDTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100152208-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. 2010-06-17 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-20100152208-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE SCD, SCD5, CPT1A SCD 1/4885SMN1; SMN2 2560/4885KDM4E 2470/4885

“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.