SCHEMBL3276289

SCHEMBL3276289

CCON(C(=O)C1CCCN1C(=O)OC(C)(C)C)C1COC(=O)C1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HSD17B10 Q99714 2/20 0.41
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
NPC1 O15118 1/20 0.39
KLK7 P49862 1/20 0.39
USP30 Q70CQ3 3/20 0.39
UCHL1 P09936 1/20 0.39
SCN4A P35499 1/20 0.38
EPHX2 P34913 1/20 0.38
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL5835526 1.00 ATM (0.41) ATMMEN1KMT2AHSD17B10ALDH1A1
SCHEMBL3269454 0.86 KLK7 (0.53) MEN1KMT2ANPC1KLK7USP30
SCHEMBL3470498 0.83 KLK7 (0.50) ATMMEN1KMT2AKLK7USP30
SCHEMBL3171815 0.82 TSHR (0.49) ALDH1A1KDM4ETSHRSMN1; SMN2KLK7
SCHEMBL12361317 0.79 HSD17B10 (0.50) MEN1KMT2AHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL3271370 0.76 MEN1 (0.42) ATMMEN1KMT2AHSD17B10ALDH1A1
SCHEMBL994240 0.74 PRCP (0.48) ALDH1A1KDM4ETSHRKLK7LMNA
SCHEMBL12450708 0.72 SCN4A (0.53) MEN1KMT2AHSD17B10ALDH1A1KDM4E
SCHEMBL4994919 0.71 HSD17B10 (0.52) MEN1KMT2AHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL7122088 0.71 HSD17B10 (0.54) MEN1KMT2AHSD17B10SMN1; SMN2NPC1

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 ATM 1668/4885MEN1 2207/4885KMT2A 2846/4885

“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.