SCHEMBL820311

SCHEMBL820311

CC(=O)O[C@@H]1CCN(C(=O)[C@@H](N)C2CCCCC2)[C@@H]1Cc1c(Br)[nH]c2ccccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 4/20 0.37
DPP4 P27487 2/20 0.36
DPP9 Q86TI2 2/20 0.36
DPP7 Q9UHL4 2/20 0.36
KDM4E B2RXH2 7/20 0.33
ALDH1A1 P00352 6/20 0.33
HSD17B10 Q99714 5/20 0.33
HPGD P15428 3/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
MCL1 Q07820 1/20 0.33
S1PR5 Q9H228 1/20 0.32
MAPK1 P28482 1/20 0.32
CASP1 P29466 1/20 0.32
ATM Q13315 1/20 0.32
FAP Q12884 1/20 0.32
RGS12 O14924 1/20 0.32
GAA P10253 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
SCHEMBL818270 1.00 DPP8 (0.37) DPP8DPP4DPP9DPP7KDM4E
SCHEMBL820556 0.84 CTSL (0.37) MEN1KMT2AMCL1
SCHEMBL818582 0.80 MCL1 (0.35) KDM4EALDH1A1HSD17B10HPGDMAPT
SCHEMBL820554 0.80 MCL1 (0.35) KDM4EALDH1A1HSD17B10HPGDMAPT
SCHEMBL820310 0.70 KDM4E (0.34) KDM4EALDH1A1HSD17B10HPGDMAPT
SCHEMBL819386 0.70 KDM4E (0.34) KDM4EALDH1A1HSD17B10HPGDMAPT
SCHEMBL12405725 0.67 BIRC3 (0.40)
SCHEMBL818763 0.64 BIRC3 (0.33) DPP8DPP4DPP7
SCHEMBL820542 0.64 BIRC3 (0.33) DPP8DPP4DPP7
SCHEMBL12405710 0.62 CTSK (0.39)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110288116-A1 IAP INHIBITORS TETRALOGIC PHARMACEUITCAL CORPORATION (US) 2011-11-24 US disclosed
US-20110288116-A1 IAP INHIBITORS TETRALOGIC PHARMACEUITCAL CORPORATION (US) 2011-11-24 US disclosed
WO-2009094287-A1 IAP INHIBITORS TETRALOGIC PHARMACEUTICAL CORPORATION (US) 2009-07-30 WO 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-20110288116-A1 IAP INHIBITORS XIAP, BIRC5, BIRC7 DPP8 627/4885DPP4 695/4885DPP9 340/4885

“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.