SCHEMBL3276285

SCHEMBL3276285

CCO[C@@H]1OC(=O)CC1NC(=O)C1CCCN1C(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
SCN4A P35499 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPC1 O15118 1/20 0.47
LMNA P02545 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ALDH1A1 P00352 2/20 0.45
CASP1 P29466 1/20 0.45
CASP3 P42574 1/20 0.45
CASP8 Q14790 1/20 0.45
POLB P06746 1/20 0.44
HSD17B10 Q99714 2/20 0.42
SCN5A Q14524 1/20 0.41
SCN3A Q9NY46 1/20 0.41
USP30 Q70CQ3 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL3276282 1.00 KMT2A (0.48) KMT2AMEN1SCN4ASMN1; SMN2NPC1
SCHEMBL5836448 1.00 KMT2A (0.48) KMT2AMEN1SCN4ASMN1; SMN2NPC1
SCHEMBL5835521 1.00 KMT2A (0.48) KMT2AMEN1SCN4ASMN1; SMN2NPC1
SCHEMBL12946543 0.91 SCN4A (0.45) KMT2AMEN1SCN4ASMN1; SMN2NPC1
SCHEMBL14232790 0.86 CASP1 (0.43) CASP1CASP3CASP8POLB
SCHEMBL3470615 0.86 KLK7 (0.56) KMT2AMEN1SMN1; SMN2NPC1LMNA
SCHEMBL4460008 0.86 KLK7 (0.56) KMT2AMEN1SMN1; SMN2NPC1LMNA
SCHEMBL14209492 0.86 CASP1 (0.43) CASP1CASP3CASP8POLB
SCHEMBL13928556 0.86 CASP1 (0.43) CASP1CASP3CASP8POLB
SCHEMBL3470091 0.86 CASP1 (0.43) CASP1CASP3CASP8POLB

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
EP-1278737-B1 PROCESS AND INTERMEDIATES FOR MAKING SUBSTITUTED ASPARTIC ACID ACETALS VERTEX PHARMA (US) 2010-06-30 EP disclosed
US-7109357-B2 Process and intermediates for making substituted aspartic acid acetals VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-09-19 US disclosed
US-20030119899-A1 Process and intermediates for making substituted aspartic acid acetals VERTEX PHARMACEUTICALS INCORPORATED 2003-06-26 US disclosed
EP-1278737-A2 PROCESS AND INTERMEDIATES FOR MAKING SUBSTITUTED ASPARTIC ACID ACETALS Vertex Pharmaceuticals Incorporated (US) 2003-01-29 EP disclosed
WO-2001081330-A2 PROCESS AND INTERMEDIATES FOR MAKING SUBSTITUTED ASPARTIC ACID ACETALS VERTEX PHARMACEUTICALS INCORPORATED (US) 2001-11-01 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-20030119899-A1 Process and intermediates for making substituted aspartic acid acetals CASP1, CASP4, CASP2 KMT2A 2846/4885MEN1 2207/4885SCN4A 2454/4885

“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.