SCHEMBL2382863

SCHEMBL2382863

C[C@H](NC(=O)OC(C)(C)C)c1ccc(C(=O)O)o1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 2/20 0.46
TSHR P16473 2/20 0.45
HSD17B10 Q99714 1/20 0.45
PPARA Q07869 5/20 0.41
PPARG P37231 4/20 0.41
CTSS P25774 5/20 0.41
CTSK P43235 4/20 0.41
PPARD Q03181 2/20 0.40
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 1/20 0.40
MEN1 O00255 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL2378680 1.00 ATM (0.47) ATMMAPTKMT2ATSHRHSD17B10
SCHEMBL1828340 0.79 HTT (0.39) ATMMAPTTSHRHSD17B10ALDH1A1
SCHEMBL27803425 0.77 MEN1 (0.45) ATMMAPTKMT2APPARAPPARG
SCHEMBL2405973 0.73 KMT2A (0.43) ATMMAPTKMT2ATSHRHSD17B10
SCHEMBL12590862 0.73 KMT2A (0.43) ATMMAPTKMT2ATSHRHSD17B10
SCHEMBL12590864 0.73 KMT2A (0.43) ATMMAPTKMT2ATSHRHSD17B10
SCHEMBL12203593 0.73 CTSK (0.62) ATMMAPTKMT2AHSD17B10CTSS
SCHEMBL6346032 0.73 CTSK (0.62) ATMMAPTKMT2AHSD17B10CTSS
SCHEMBL6346030 0.73 CTSK (0.62) ATMMAPTKMT2AHSD17B10CTSS
SCHEMBL506000 0.73 NR1H4 (0.60) MAPTKMT2ATSHRPPARAPPARG

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-20110230419-A1 IAP BINDING COMPOUNDS NUEVOLUTION A/S (DK) 2011-09-22 US disclosed
US-20110230419-A1 IAP BINDING COMPOUNDS NUEVOLUTION A/S (DK) 2011-09-22 US disclosed
WO-2009152824-A1 HETEROCYCLIC DERIVATIVES AS IAP BINDING COMPOUNDS NUEVOLUTION A/S (DK) 2009-12-23 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-20110230419-A1 IAP BINDING COMPOUNDS BIRC5, BIRC7, BIRC3 ATM 4271/4885MAPT 1455/4885KMT2A 4788/4885

“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.