SCHEMBL1273271

SCHEMBL1273271

CCO[C@H]1CN(C(=O)O)[C@](C(=O)NCc2ccccc2)(C(C)(C)C)C1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.42
HPGD P15428 1/20 0.42
PPID Q08752 1/20 0.41
OPRL1 P41146 4/20 0.39
RIPK1 Q13546 1/20 0.39
SLC6A4 P31645 1/20 0.38
OPRM1 P35372 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
OPRD1 P41143 1/20 0.38
POLB P06746 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TSHR P16473 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
EPHX2 P34913 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
SCHEMBL1272784 1.00 MMP1 (0.42) MMP1HPGDPPIDOPRL1RIPK1
SCHEMBL1273336 0.83 HPGD (0.46) HPGDOPRL1RIPK1SLC6A4OPRM1
SCHEMBL3849116 0.79 MEN1 (0.39) SMN1; SMN2POLBMEN1KMT2ATSHR
SCHEMBL17505973 0.75 FPR2 (0.40) HPGDMEN1KMT2AL3MBTL1
SCHEMBL6508899 0.74 OPRL1 (0.47) HPGDOPRL1RIPK1OPRM1SMN1; SMN2
SCHEMBL5173018 0.74 OPRL1 (0.47) HPGDOPRL1RIPK1OPRM1SMN1; SMN2
SCHEMBL2477093 0.73 CTSL (0.36) OPRL1OPRM1SMN1; SMN2NPC1RAB9A
SCHEMBL16402974 0.71 GRIN2B (0.36) MMP1MEN1KMT2A
SCHEMBL16403229 0.70 ALDH1A1 (0.35) MMP1MEN1KMT2A
SCHEMBL16400539 0.69 GRIN2B (0.35) MMP1MEN1KMT2A

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 MMP1 3311/4885HPGD 2842/4885PPID 1552/4885

“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.