SCHEMBL13617804

SCHEMBL13617804

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
BMP1 P13497 1/20 0.40
LMNA P02545 4/20 0.39
HTT P42858 2/20 0.39
ALDH1A1 P00352 7/20 0.39
NPSR1 Q6W5P4 2/20 0.35
TP53 P04637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEP1B Q16820 1/20 0.34
ABCB1 P08183 1/20 0.34
F2 P00734 1/20 0.33
TAS2R14 Q9NYV8 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
HIF1A Q16665 1/20 0.33
EPAS1 Q99814 1/20 0.33

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
SCHEMBL13617792 0.90 ADAMTS4 (0.42) MEN1KMT2ASMN1; SMN2BMP1LMNA
SCHEMBL4348198 0.90 BMP1 (0.40) MEN1KMT2ASMN1; SMN2BMP1LMNA
SCHEMBL4344331 0.89 SMN1; SMN2 (0.42) MEN1KMT2ASMN1; SMN2LMNAHTT
SCHEMBL13617786 0.87 BMP1 (0.41) MEN1KMT2ASMN1; SMN2BMP1LMNA
SCHEMBL13630832 0.87 BMP1 (0.40) MEN1KMT2ASMN1; SMN2BMP1LMNA
SCHEMBL19140531 0.86 TAS2R14 (0.41) BMP1LMNAHTTTAS2R14
SCHEMBL4344286 0.86 LMNA (0.44) MEN1KMT2ASMN1; SMN2LMNAHTT
SCHEMBL19140198 0.84 CLK2 (0.33)
SCHEMBL13617935 0.83 ABCB1 (0.49) MEN1KMT2ASMN1; SMN2LMNAHTT
SCHEMBL4347424 0.82 CA12 (0.40) MEN1KMT2ASMN1; SMN2BMP1LMNA

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-8455497-B2 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-04 US disclosed
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
US-20090274650-A1 INHIBITORS OF ASPARTYL PROTEASE VERTEX PHARMACEUTICALS INCORPORATED 2009-11-05 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 (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-20090274650-A1 INHIBITORS OF ASPARTYL PROTEASE SPINT2, DNPEP, PRSS1 MEN1 4418/4885KMT2A 864/4885SMN1; 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.