SCHEMBL820554

SCHEMBL820554

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.35
KLK7 P49862 1/20 0.35
HCRTR2 O43614 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33

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
SCHEMBL818582 1.00 MCL1 (0.35) MCL1KLK7HCRTR2MEN1KMT2A
SCHEMBL820709 0.85 KDM4E (0.39) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL820556 0.83 CTSL (0.37) MCL1MEN1KMT2A
SCHEMBL820876 0.81 POLB (0.49) KMT2AKDM4EALDH1A1MAPTHPGD
SCHEMBL818363 0.81 POLB (0.49) KMT2AKDM4EALDH1A1MAPTHPGD
SCHEMBL818270 0.80 DPP8 (0.37) MCL1MEN1KMT2AKDM4EALDH1A1
SCHEMBL818210 0.77 BRD3 (0.36) ALDH1A1GABRA1GABRG2GABRB3GABRA5
SCHEMBL820302 0.77 BRD3 (0.36) ALDH1A1GABRA1GABRG2GABRB3GABRA5
SCHEMBL820310 0.73 KDM4E (0.34) MCL1MEN1KMT2AKDM4EALDH1A1
SCHEMBL819386 0.73 KDM4E (0.34) MCL1MEN1KMT2AKDM4EALDH1A1

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 MCL1 47/4885KLK7 3089/4885HCRTR2 4775/4885

“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.