SCHEMBL10068465

SCHEMBL10068465

CCN1CCC(c2nc(C(=O)O)cs2)CC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
ALDH1A1 P00352 2/20 0.48
CASP8 Q14790 1/20 0.40
GSK3B P49841 1/20 0.39
DYRK1A Q13627 1/20 0.39
PLA2G4A P47712 1/20 0.38
BAZ2A Q9UIF9 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
LDHA P00338 1/20 0.37
CFB P00751 1/20 0.36
PPARG P37231 1/20 0.36
ENPP2 Q13822 1/20 0.36
SLC40A1 Q9NP59 1/20 0.36
PTGER1 P34995 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
SCHEMBL13162593 0.89 DRD2 (0.44) SMN1; SMN2ALDH1A1CASP8GSK3BDYRK1A
SCHEMBL27649798 0.86 GSK3B (0.40) SMN1; SMN2ALDH1A1CASP8GSK3BDYRK1A
SCHEMBL10253093 0.84 CASP8 (0.42) ALDH1A1CASP8GSK3BDYRK1AL3MBTL1
SCHEMBL13162592 0.84 EPHX2 (0.39) SMN1; SMN2CASP8PLA2G4ABAZ2AL3MBTL1
SCHEMBL1041745 0.83 CASP8 (0.38) SMN1; SMN2ALDH1A1CASP8GSK3BDYRK1A
SCHEMBL1141577 0.82 CASP8 (0.49) ALDH1A1CASP8L3MBTL1LDHAPTGER1
SCHEMBL24978623 0.81 CASP8 (0.42) ALDH1A1CASP8GSK3BDYRK1AL3MBTL1
SCHEMBL2952296 0.81 CASP8 (0.42) ALDH1A1CASP8L3MBTL1LDHA
SCHEMBL2969047 0.81 GSK3B (0.46) ALDH1A1CASP8GSK3BDYRK1AL3MBTL1
SCHEMBL10037325 0.81 CASP8 (0.40) SMN1; SMN2ALDH1A1CASP8L3MBTL1LDHA

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-20120077711-A1 Novel Ligands and Libraries of Ligands SUNESIS PHARMACEUTICALS, INC. (US) 2012-03-29 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-20120077711-A1 Novel Ligands and Libraries of Ligands LSS, ABCG2, SELL SMN1; SMN2 4117/4885ALDH1A1 533/4885CASP8 3319/4885

“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.