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SCHEMBL3512985

SCHEMBL3512985

CCOC(=O)CC1(O)C[C@@H](C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)C1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ NFKB1 P19838 1/20 0.32
▸ NFKB2 Q00653 1/20 0.32
▸ RELA Q04206 1/20 0.32
▸ GLA P06280 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ SPHK1 Q9NYA1 1/20 0.30
▸ IMPDH2 P12268 3/20 0.30
▸ FKBP1A P62942 2/20 0.30
▸ HSD17B10 Q99714 1/20 0.30

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
SCHEMBL3515386 0.82 KMT2A (0.32) KMT2AMEN1HDAC8L3MBTL1NFKB1
SCHEMBL4553964 0.82 KMT2A (0.32) KMT2AMEN1HDAC8L3MBTL1NFKB1
SCHEMBL29548176 0.82 HDAC8 (0.37) KMT2AMEN1HDAC8SPHK1IMPDH2
SCHEMBL29548431 0.82 HDAC8 (0.37) KMT2AMEN1HDAC8SPHK1IMPDH2
SCHEMBL3511567 0.80 KMT2A (0.31) KMT2AMEN1HDAC8L3MBTL1
SCHEMBL8273059 0.77 FKBP1A (0.37) KMT2AMEN1HDAC8NFKB1NFKB2
SCHEMBL2380328 0.77 IMPDH2 (0.39) KMT2AMEN1HDAC8SPHK1IMPDH2
SCHEMBL2380326 0.77 IMPDH2 (0.39) KMT2AMEN1HDAC8SPHK1IMPDH2
SCHEMBL18497293 0.76 KMT2A (0.39) KMT2AMEN1L3MBTL1GLAALDH1A1
SCHEMBL1269177 0.76 FKBP1A (0.38) KMT2AMEN1HDAC8NFKB1NFKB2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8575208-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-11-05 — — US disclosed
US-8575208-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-11-05 — — US disclosed
US-8575208-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-11-05 — — US disclosed
US-20100272681-A1 Inhibitors of Serine Proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-10-28 — — US disclosed
US-20100272681-A1 Inhibitors of Serine Proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-10-28 — — US disclosed
US-20100272681-A1 Inhibitors of Serine Proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-10-28 — — US disclosed
EP-2134717-A2 INHIBITORS OF SERINE PROTEASES Vertex Pharmceuticals Incorporated (US) 2009-12-23 — — EP disclosed
WO-2008106058-A2 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-09-04 — — WO disclosed
WO-2008106058-A2 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-09-04 — — 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-20100272681-A1 Inhibitors of Serine Proteases SERPINB1, PRSS1, SPINT2 KMT2A 3161/4885MEN1 4026/4885HDAC8 1439/4885

“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.