SCHEMBL2378736

SCHEMBL2378736

C[C@H](c1cccc(C(=O)O)c1)N(C)C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.42
ENPEP Q07075 1/20 0.42
ACHE P22303 6/20 0.42
BCHE P06276 5/20 0.39
PTGS1 P23219 3/20 0.39
PTGS2 P35354 3/20 0.39
MAPT P10636 2/20 0.39
CXCR1 P25024 2/20 0.39
CXCR2 P25025 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
RECQL P46063 1/20 0.39
LMNA P02545 1/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
PMP22 Q01453 1/20 0.39
SLC22A6 Q4U2R8 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL2379838 1.00 ANPEP (0.42) ANPEPENPEPACHEBCHEPTGS1
SCHEMBL2379533 1.00 ANPEP (0.42) ANPEPENPEPACHEBCHEPTGS1
SCHEMBL21798473 0.84 MTOR (0.53) MTOR
SCHEMBL30034373 0.84 MTOR (0.53) MTOR
SCHEMBL6675085 0.82 ACHE (0.43) ACHEBCHEFAAHMTOR
SCHEMBL31226523 0.82 ACHE (0.43) ACHEBCHEFAAHMTOR
SCHEMBL7647701 0.80 ANPEP (0.38) ANPEPENPEPSMN1; SMN2KDM4EALDH1A1
SCHEMBL30925030 0.78 PTGS1 (0.55) ANPEPENPEPPTGS1PTGS2MAPT
SCHEMBL29214270 0.78 PTGS1 (0.55) ANPEPENPEPPTGS1PTGS2MAPT
SCHEMBL6675145 0.77 KMT2A (0.47) MAPTSMN1; SMN2ALDH1A1LMNAHPGD

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 4 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
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 ANPEP 858/4885ENPEP 808/4885ACHE 3301/4885

“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.