SCHEMBL12052003

SCHEMBL12052003

COC(=O)c1cc2c(s1)CCc1sc(COC=O)cc1C2=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.38
HPGD P15428 5/20 0.38
MAPK1 P28482 4/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 6/20 0.36
GAA P10253 4/20 0.36
MAPT P10636 4/20 0.36
ATM Q13315 3/20 0.36
GLA P06280 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 8/20 0.36
OPRD1 P41143 1/20 0.34
TSHR P16473 2/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ALOX15 P16050 1/20 0.32
PTGS1 P23219 1/20 0.31

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
SCHEMBL13550145 0.83 KDM4E (0.50) KDM4EHPGDMAPK1RAB9ANPC1
SCHEMBL12052004 0.80 KDM4E (0.37) KDM4EHPGDMAPK1RAB9ANPC1
SCHEMBL12051998 0.77 KDM4E (0.34) KDM4EHPGDMAPK1RAB9ANPC1
SCHEMBL12051952 0.76 KDM4E (0.49) KDM4EHPGDMAPK1RAB9ANPC1
SCHEMBL12051997 0.73 KDM4E (0.32) KDM4EHPGDMAPK1RAB9ANPC1
SCHEMBL12051951 0.71 L3MBTL1 (0.40) KDM4EHPGDMAPK1RAB9ANPC1
SCHEMBL12051946 0.68 KDM4E (0.37) KDM4EHPGDMAPK1RAB9ANPC1
SCHEMBL6994989 0.63 KDM4E (0.42) KDM4EHPGDMAPK1RAB9ANPC1
SCHEMBL6994987 0.63 KDM4E (0.42) KDM4EHPGDMAPK1RAB9ANPC1
SCHEMBL13550160 0.62 KDM4E (0.49) KDM4EHPGDMAPK1RAB9ANPC1

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 465/4885HPGD 1513/4885MAPK1 3716/4885

“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.