SCHEMBL15401238

SCHEMBL15401238

CC1(C)CN(C(=O)O)c2cc(Br)ccc21

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.47
CNR2 P34972 1/20 0.40
XIAP P98170 9/20 0.39
BIRC2 Q13490 9/20 0.39
HSD17B3 P37058 2/20 0.38
SLC22A12 Q96S37 1/20 0.37
MYC P01106 1/20 0.36
NR4A1 P22736 1/20 0.36
CASP2 P42575 1/20 0.36
LMNA P02545 1/20 0.36
PMP22 Q01453 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GFER P55789 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL17446878 0.89 NOTUM (0.62) NOTUMCNR2XIAPBIRC2HSD17B3
SCHEMBL1830230 0.82 XIAP (0.43) XIAPBIRC2HSD17B3MYCNR4A1
SCHEMBL13732568 0.79 XIAP (0.57) XIAPBIRC2HSD17B3CASP2LMNA
SCHEMBL13416586 0.77 NOTUM (0.44) NOTUMLMNAALDH1A1
SCHEMBL23671532 0.77 PIK3CA (0.42) NOTUMXIAPBIRC2HSD17B3ALDH1A1
SCHEMBL1829099 0.77 XIAP (0.36) XIAPBIRC2HSD17B3MYCNR4A1
SCHEMBL1829103 0.77 XIAP (0.36) XIAPBIRC2HSD17B3MYCNR4A1
SCHEMBL1829105 0.77 XIAP (0.36) XIAPBIRC2HSD17B3MYCNR4A1
SCHEMBL6527995 0.76 NOTUM (0.62) NOTUMCNR2HSD17B3ALDH1A1
SCHEMBL7984446 0.76 NOTUM (0.77) NOTUMCNR2BIRC2NPSR1

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-8987473-B2 Ring-fused compound SATO PHARMACEUTICAL CO., LTD. (JP) 2015-03-24 US disclosed
US-20140005221-A1 RING-FUSED COMPOUND SATO PHARMACEUTICAL CO., LTD. (JP) 2014-01-02 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 (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-20140005221-A1 RING-FUSED COMPOUND URB2, RCOR1, RCC2 NOTUM 2742/4885CNR2 1285/4885XIAP 3320/4885

“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.