SCHEMBL1865624

SCHEMBL1865624

COC(C)(C)CC1COC(C)(C)N1C(=O)OC(C)(C)C

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.46
HSD11B2 P80365 1/20 0.39
BRD4 O60885 1/20 0.36
HCRTR2 O43614 1/20 0.36
NR1H2 P55055 1/20 0.34
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
USP2 O75604 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
DDB1 Q16531 2/20 0.30
CRBN Q96SW2 2/20 0.30
NAMPT P43490 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
SCHEMBL1865626 1.00 SPHK1 (0.46) SPHK1HSD11B2BRD4HCRTR2NR1H2
SCHEMBL1859100 0.86 SPHK1 (0.48) SPHK1HSD11B2BRD4HCRTR2NR1H2
SCHEMBL1859101 0.86 SPHK1 (0.48) SPHK1HSD11B2BRD4HCRTR2NR1H2
SCHEMBL1866291 0.85 SPHK1 (0.34) SPHK1HCRTR2
SCHEMBL3614792 0.84 SPHK1 (0.45) SPHK1HSD11B2BRD4HCRTR2NR1H2
SCHEMBL3619126 0.84 SPHK1 (0.45) SPHK1HSD11B2BRD4HCRTR2NR1H2
SCHEMBL3619128 0.84 SPHK1 (0.45) SPHK1HSD11B2BRD4HCRTR2NR1H2
SCHEMBL3614794 0.84 SPHK1 (0.45) SPHK1HSD11B2BRD4HCRTR2NR1H2
SCHEMBL3466633 0.84 SPHK1 (0.46) SPHK1HSD11B2BRD4HCRTR2NR1H2
SCHEMBL3465485 0.84 SPHK1 (0.49) SPHK1HSD11B2BRD4HCRTR2NR1H2

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
EP-3134408-B1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME (US) 2020-08-12 EP disclosed
US-10093683-B2 Factor XIa inhibitors MERCK SHARP & DOHME CORP. (US) 2018-10-09 US disclosed
EP-3134408-A1 FACTOR XIa INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-03-01 EP disclosed
US-20170044183-A1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-02-16 US disclosed
WO-2015164308-A1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-10-29 WO disclosed
US-8455521-B2 Diaminoalkane aspartic protease inhibitors VITAE PHARMACEUTICALS, INC. (US) 2013-06-04 US disclosed
US-20110105506-A1 Diaminoalkane aspartic protease inhibitors VITAE PHARMACEUTICALS, INC. 2011-05-05 US disclosed
US-7754737-B2 Diaminoalkane aspartic protease inhibitors VITAE PHARMACEUTICALS, INC. (US) 2010-07-13 US disclosed
US-20090018103-A1 Diaminoalkane Aspartic Protease Inhibitors VITAE PHARMACEUTICAL, INC (US) 2009-01-15 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 (4 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-20110105506-A1 Diaminoalkane aspartic protease inhibitors DNPEP, PEPD, ACE SPHK1 854/4885HSD11B2 2607/4885BRD4 2787/4885
US-20170044183-A1 FACTOR XIa INHIBITORS F11, SERPINC1, TFPI SPHK1 850/4885HSD11B2 847/4885BRD4 2500/4885
US-10093683-B2 Factor XIa inhibitors F11, F12, SERPINC1 SPHK1 872/4885HSD11B2 846/4885BRD4 3011/4885
US-20090018103-A1 Diaminoalkane Aspartic Protease Inhibitors DNPEP, PEPD, ACE SPHK1 854/4885HSD11B2 2607/4885BRD4 2787/4885

“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.