SCHEMBL1830609

SCHEMBL1830609

CC(NCC(=O)OC(C)(C)C)c1cccc(C(=O)O)n1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
ACMSD Q8TDX5 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
LMNA P02545 1/20 0.37
PTPRC P08575 2/20 0.36
P2RY12 Q9H244 1/20 0.34
MAPT P10636 1/20 0.34
ATM Q13315 1/20 0.34
VSIR Q9H7M9 1/20 0.34

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
SCHEMBL19193984 0.76 L3MBTL1 (0.54) L3MBTL1LMNAPTPRC
SCHEMBL27551142 0.76 L3MBTL1 (0.54) L3MBTL1LMNAPTPRC
SCHEMBL27570822 0.76 L3MBTL1 (0.54) L3MBTL1LMNAPTPRC
SCHEMBL2379530 0.73 L3MBTL1 (0.43) L3MBTL1KDM4EPTPRC
SCHEMBL14208451 0.72 HDAC3 (0.46) LMNAPTPRC
SCHEMBL1830610 0.72 KDM4E (0.41) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL6178015 0.70 CCNT1 (0.42) L3MBTL1PTPRCVSIR
SCHEMBL1828340 0.70 HTT (0.39) L3MBTL1KDM4ETSHRTDP1LMNA
SCHEMBL18157892 0.70 KDM4E (0.48) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL100967 0.70 KDM4E (0.61) L3MBTL1KDM4EALOX15TSHRACMSD

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 L3MBTL1 1939/4885KDM4E 2792/4885ALOX15 3754/4885

“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.