SCHEMBL4339848

SCHEMBL4339848

CC(C)CN(C[C@H]1OC(C)(C)N(C(=O)O)[C@H]1Cc1ccc(OCC#N)cc1)S(=O)(=O)c1ccc2c(c1)OCO2

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 5/20 0.38
ABCB1 P08183 1/20 0.36
HPGD P15428 2/20 0.35
TSHR P16473 1/20 0.35
ADAM17 P78536 2/20 0.35
MEP1B Q16820 1/20 0.34
MAPT P10636 2/20 0.34
BMP1 P13497 1/20 0.34
TAS2R14 Q9NYV8 1/20 0.34
TP53 P04637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL4340869 0.91 LMNA (0.40) HTTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL6060859 0.90 TAS2R14 (0.36) HTTLMNASMN1; SMN2ALDH1A1HPGD
SCHEMBL4347227 0.89 ADAMTS4 (0.46) HTTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL4343824 0.89 LMNA (0.41) HTTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL4352169 0.89 MAOB (0.40) HTTLMNAALDH1A1ABCB1ADAM17
SCHEMBL4353025 0.88 ADAMTS4 (0.40) HTTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL4347715 0.88 LMNA (0.40) HTTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL4344331 0.87 SMN1; SMN2 (0.42) HTTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL4345112 0.87 LMNA (0.40) HTTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL4341082 0.87 LMNA (0.40) HTTLMNASMN1; SMN2MEN1KMT2A

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-8455497-B2 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-04 US disclosed
US-20090274650-A1 INHIBITORS OF ASPARTYL PROTEASE VERTEX PHARMACEUTICALS INCORPORATED 2009-11-05 US disclosed
EP-1194404-B1 INHIBITORS OF ASPARTYL PROTEASE VERTEX PHARMA (US) 2006-05-03 EP disclosed
US-6878728-B1 Inhibitors of aspartyl protease VERTEX PHARMACEUTICAL INCORPORATED (US) 2005-04-12 US disclosed
US-20040122000-A1 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED. 2004-06-24 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-20040122000-A1 Inhibitors of aspartyl protease SPINT2, DNPEP, PRSS1 HTT 1847/4885LMNA 4130/4885SMN1; SMN2 2568/4885
US-20090274650-A1 INHIBITORS OF ASPARTYL PROTEASE SPINT2, DNPEP, PRSS1 HTT 1847/4885LMNA 4130/4885SMN1; SMN2 2568/4885

“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.