SCHEMBL2936980

SCHEMBL2936980

CC(C)(C)C1OC(=O)C[C@@H]1NC(=O)O

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.33
CASP3 P42574 2/20 0.33
GAA P10253 2/20 0.33
CASP8 Q14790 4/20 0.31
CASP1 P29466 3/20 0.31
POLB P06746 1/20 0.31
NAAA Q02083 3/20 0.31

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
SCHEMBL25262408 0.72 BRD4 (0.34) SMN1; SMN2CASP3CASP8CASP1
SCHEMBL25220381 0.72 BRD4 (0.34) SMN1; SMN2CASP3CASP8CASP1
SCHEMBL25274007 0.72 BRD4 (0.34) SMN1; SMN2CASP3CASP8CASP1
SCHEMBL25268709 0.72 BRD4 (0.34) SMN1; SMN2CASP3CASP8CASP1
SCHEMBL26623259 0.70 CASP3 (0.35) SMN1; SMN2CASP3CASP8CASP1
SCHEMBL26623252 0.70 CASP3 (0.35) SMN1; SMN2CASP3CASP8CASP1
SCHEMBL6200874 0.70 CASP3 (0.35) SMN1; SMN2CASP3CASP8CASP1
SCHEMBL19941102 0.67 SMN1; SMN2 (0.48) SMN1; SMN2
SCHEMBL10102999 0.67 SMN1; SMN2 (0.42) SMN1; SMN2
SCHEMBL1106133 0.67 SMN1; SMN2 (0.38) SMN1; SMN2

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-20100093785-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2010-04-15 US disclosed
US-20050119486-A1 Diamine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2005-06-02 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 (2 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-20100093785-A1 DIAMINE DERIVATIVES C9, C1S, C1R SMN1; SMN2 666/4885CASP3 642/4885GAA 4849/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R SMN1; SMN2 473/4885CASP3 861/4885GAA 4788/4885

“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.