SCHEMBL1830610

SCHEMBL1830610

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
ACMSD Q8TDX5 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PAX8 Q06710 1/20 0.36
LMNA P02545 1/20 0.35
MMP13 P45452 1/20 0.34
ECE1 P42892 1/20 0.33
AAK1 Q2M2I8 2/20 0.32
PTGER1 P34995 1/20 0.32
GNE Q9Y223 1/20 0.32
MTOR P42345 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
CKS1B P61024 1/20 0.31
SKP1 P63208 1/20 0.31
SKP2 Q13309 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL30912465 0.83 IRAK4 (0.41) PAX8LMNAMMP13AAK1IRAK4
SCHEMBL30912458 0.83 IRAK4 (0.41) PAX8LMNAMMP13AAK1IRAK4
SCHEMBL30912463 0.83 IRAK4 (0.41) PAX8LMNAMMP13AAK1IRAK4
SCHEMBL22542566 0.78 KDM4E (0.31) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL18055197 0.78 KDM4E (0.31) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL30034373 0.75 MTOR (0.53) MMP13MTORGAA
SCHEMBL21798473 0.75 MTOR (0.53) MMP13MTORGAA
SCHEMBL12853542 0.75 KDM4E (0.46) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL13447982 0.73 KDM4E (0.47) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL2378736 0.73 ANPEP (0.42) KDM4ELMNAMTOR

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 5 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
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
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 KDM4E 2792/4885ALOX15 3754/4885TSHR 4815/4885

“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.