SCHEMBL13617786

SCHEMBL13617786

COC(=O)CCCOc1ccc(C[C@H]2[C@@H](CN(CC(C)C)S(=O)(=O)c3ccc4c(c3)OCO4)OC(C)(C)N2C(=O)OC(C)(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BMP1 P13497 7/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 2/20 0.41
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 3/20 0.37
ABCB1 P08183 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MMP3 P08254 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
TP53 P04637 1/20 0.34
THRB P10828 1/20 0.34
MMP1 P03956 1/20 0.33
MMP8 P22894 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
SCHEMBL13630832 0.98 BMP1 (0.40) BMP1LMNAHTTMEN1KMT2A
SCHEMBL4348198 0.88 BMP1 (0.40) BMP1LMNAHTTMEN1KMT2A
SCHEMBL13617792 0.88 ADAMTS4 (0.42) BMP1LMNAHTTMEN1KMT2A
SCHEMBL13617804 0.87 MEN1 (0.41) BMP1LMNAHTTMEN1KMT2A
SCHEMBL4347424 0.85 CA12 (0.40) BMP1LMNAHTTMEN1KMT2A
SCHEMBL19141179 0.81 MMP3 (0.38) BMP1LMNAHTTMMP3MMP1
SCHEMBL4343824 0.80 LMNA (0.41) BMP1LMNAHTTMEN1KMT2A
SCHEMBL13617937 0.80 ABCB1 (0.49) BMP1LMNAHTTMEN1KMT2A
SCHEMBL4347227 0.79 ADAMTS4 (0.46) BMP1LMNAHTTMEN1KMT2A
SCHEMBL4339848 0.79 HTT (0.41) BMP1LMNAHTTMEN1KMT2A

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 3 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

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 BMP1 4692/4885LMNA 4130/4885HTT 1847/4885

“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.