SCHEMBL5495426

SCHEMBL5495426

CC(C)CN(C(=O)C(=O)O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
GLA P06280 2/20 0.48
TSHR P16473 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
TP53 P04637 3/20 0.43
LMNA P02545 1/20 0.42
GPR88 Q9GZN0 1/20 0.41
SERPINE1 P05121 1/20 0.40
HTT P42858 2/20 0.40
FPR1 P21462 1/20 0.40
HSD17B10 Q99714 1/20 0.40
AOC3 Q16853 1/20 0.40
LTB4R2 Q9NPC1 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 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
SCHEMBL11404737 0.85 ALDH1A1 (0.52) ALDH1A1GLATSHRSMN1; SMN2MEN1
SCHEMBL8121494 0.83 ALDH1A1 (0.50) ALDH1A1GLATSHRSMN1; SMN2MEN1
SCHEMBL8121490 0.81 ALDH1A1 (0.48) ALDH1A1GLATSHRSMN1; SMN2MEN1
SCHEMBL7379075 0.81 ALDH1A1 (0.48) ALDH1A1GLATSHRSMN1; SMN2MEN1
SCHEMBL15492964 0.80 ADRA2C (0.54) ALDH1A1GLATSHRSMN1; SMN2MEN1
SCHEMBL2069363 0.80 OPRM1 (0.56) ALDH1A1GLATSHRSMN1; SMN2TP53
Hydrochloric Acid SCHEMBL27494938 0.80 ALDH1A1 (0.47) ALDH1A1GLATSHRSMN1; SMN2MEN1
SCHEMBL9340953 0.79 MEN1 (0.46) ALDH1A1GLATSHRSMN1; SMN2MEN1
SCHEMBL8842836 0.79 ALDH1A1 (0.60) ALDH1A1GLATSHRSMN1; SMN2MEN1
SCHEMBL8122514 0.79 ALDH1A1 (0.46) ALDH1A1GLATSHRSMN1; SMN2MEN1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7183260-B2 C-terminal modified oxamyl dipeptides as inhibitors of the ICE/ced-3 family of cysteine proteases IDUN PHARMACEUTICALS, INC. (US) 2007-02-27 US disclosed
US-7053056-B2 C-terminal modified oxamyl dipeptides as inhibitors of the ICE/ced-3 family of cysteine proteases IDUN PHARMACEUTICALS, INC. (US) 2006-05-30 US disclosed
US-20050020504-A1 C-terminal modified oxamyl dipeptides as inhibitors of the ICE/ced-3 family of cysteine proteases IDUN PHARMACEUTICALS, INC. (US) 2005-01-27 US disclosed
EP-1351975-A2 C-TERMINAL MODIFIED OXAMYL DIPEPTIDES AS INHIBITORS OF THE ICE/CED-3 FAMILY OF CYSTEINE PROTEASES Idun Pharmaceuticals, Inc. (US) 2003-10-15 EP disclosed
WO-2002057298-A2 C-TERMINAL MODIFIED OXAMYL DIPEPTIDES AS INHIBITORS OF THE ICE/CED-3 FAMILY OF CYSTEINE PROTEASES IDUN PHARMACEUTICALS, INC. (US) 2002-07-25 WO disclosed
US-20020042376-A1 C-terminal modified oxamyl dipeptides as inhibitors of the ICE-ced-3 family of cysteine proteases CONATUS PHARMACEUTICALS, INC. 2002-04-11 US 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 (2 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-20050020504-A1 C-terminal modified oxamyl dipeptides as inhibitors of the ICE/ced-3 family of cysteine proteases CASP3, DPP3, IAPP ALDH1A1 4170/4885GLA 3119/4885TSHR 4826/4885
US-20020042376-A1 C-terminal modified oxamyl dipeptides as inhibitors of the ICE-ced-3 family of cysteine proteases CASP3, IAPP, DPP3 ALDH1A1 4157/4885GLA 3222/4885TSHR 4828/4885

“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.