SCHEMBL1273399

SCHEMBL1273399

CCOC(=O)c1csc([C@@H]2CN3CCC[C@@H]3CN2C(=O)OC(C)(C)C)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.57
NR1H3 Q13133 1/20 0.57
SMN1; SMN2 Q16637 3/20 0.44
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ABCB1 P08183 1/20 0.39
CASP3 P42574 1/20 0.39
CASP7 P55210 1/20 0.39
CASP8 Q14790 1/20 0.39
ALDH1A1 P00352 4/20 0.37
MAPT P10636 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
BAZ2A Q9UIF9 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GAA P10253 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
SCHEMBL1273546 1.00 NR1H2 (0.57) NR1H2NR1H3SMN1; SMN2MEN1KMT2A
SCHEMBL12215951 0.86 NR1H2 (0.59) NR1H2NR1H3SMN1; SMN2MEN1KMT2A
SCHEMBL8219203 0.86 NR1H2 (0.59) NR1H2NR1H3SMN1; SMN2MEN1KMT2A
SCHEMBL12789591 0.86 NR1H2 (0.59) NR1H2NR1H3SMN1; SMN2MEN1KMT2A
SCHEMBL1164437 0.85 NR1H2 (0.45) NR1H2NR1H3SMN1; SMN2ABCB1CASP3
SCHEMBL1274127 0.84 NR1H2 (0.54) NR1H2NR1H3SMN1; SMN2MEN1KMT2A
SCHEMBL23975518 0.84 NR1H2 (0.58) NR1H2NR1H3SMN1; SMN2MEN1KMT2A
SCHEMBL1273147 0.83 NR1H2 (0.40) NR1H2NR1H3UCHL1USP30
SCHEMBL1273394 0.83 NR1H2 (0.40) NR1H2NR1H3UCHL1USP30
SCHEMBL1273270 0.83 NR1H2 (0.40) NR1H2NR1H3UCHL1USP30

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-20110034469-A1 Heterocyclic Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-10 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-20110034469-A1 Heterocyclic Compound BIRC5, XIAP, BIRC2 NR1H2 4004/4885NR1H3 4178/4885SMN1; SMN2 672/4885

“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.