SCHEMBL12051997

SCHEMBL12051997

[C-]#[N+]C1(CC(C)C)c2cc(COC=O)sc2CCc2sc(C(=O)OC)cc21

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL12051948 0.81 KDM4E (0.34) KDM4ENPC1HPGDMAPK1RAB9A
SCHEMBL12052008 0.79
SCHEMBL12052003 0.73 KDM4E (0.38) KDM4ENPC1HPGDMAPK1RAB9A
SCHEMBL12052004 0.72 KDM4E (0.37) KDM4ENPC1HPGDMAPK1RAB9A
SCHEMBL12051998 0.69 KDM4E (0.34) KDM4ENPC1HPGDMAPK1RAB9A
SCHEMBL12052828 0.69 RAB9A (0.37) KDM4ENPC1HPGDRAB9ASMN1; SMN2
SCHEMBL12052802 0.69 ACACB (0.34) KDM4ERAB9ASMN1; SMN2
SCHEMBL12051962 0.66 KDM4E (0.31) KDM4EHPGD
SCHEMBL12051952 0.64 KDM4E (0.49) KDM4ENPC1HPGDMAPK1RAB9A
SCHEMBL13550167 0.64 KDM4E (0.34) KDM4ENPC1HPGDMAPK1RAB9A

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-8076330-B2 Dipeptidyl peptidase-IV inhibitors AMGEN INC. (US) 2011-12-13 US disclosed
US-20110112051-A1 Dipeptidyl Peptidase-IV Inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2011-05-12 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-20110112051-A1 Dipeptidyl Peptidase-IV Inhibitors DPP4, DPP3, DPP7 KDM4E 465/4885NPC1 1571/4885HPGD 1513/4885

“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.