SCHEMBL1828340

SCHEMBL1828340

CC(NCC(=O)OC(C)(C)C)c1ccc(C(=O)O)o1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPT P10636 2/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
RAB9A P51151 4/20 0.36
NPC1 O15118 3/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
PTPRC P08575 2/20 0.36
TSHR P16473 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
PKM P14618 1/20 0.35
HPGD P15428 1/20 0.35
AGTR1 P30556 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL2379843 0.85 L3MBTL1 (0.37) HTTCYP2D6CYP2C9CYP2C19MAPT
SCHEMBL2382863 0.79 ATM (0.47) MAPTATML3MBTL1TSHRALDH1A1
SCHEMBL2378680 0.79 ATM (0.47) MAPTATML3MBTL1TSHRALDH1A1
SCHEMBL27570822 0.76 L3MBTL1 (0.54) CYP2D6CYP2C19L3MBTL1PTPRCLMNA
SCHEMBL19193984 0.76 L3MBTL1 (0.54) CYP2D6CYP2C19L3MBTL1PTPRCLMNA
SCHEMBL27551142 0.76 L3MBTL1 (0.54) CYP2D6CYP2C19L3MBTL1PTPRCLMNA
SCHEMBL2379530 0.71 L3MBTL1 (0.43) L3MBTL1KDM4EPTPRCALDH1A1
SCHEMBL22835130 0.71 HDAC4 (0.44) HTTMAPTL3MBTL1RAB9ANPC1
SCHEMBL13268926 0.71 TDP1 (0.51) MAPTL3MBTL1RAB9ANPC1KDM4E
SCHEMBL10593205 0.70 RXRA (0.40) HTTCYP2D6CYP2C9CYP2C19L3MBTL1

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
EP-2318363-A1 HETEROCYCLIC DERIVATIVES AS IAP BINDING COMPOUNDS Nuevolution A/S (DK) 2011-05-11 EP 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 HTT 3428/4885CYP2D6 3267/4885CYP2C9 4689/4885

“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.