SCHEMBL13613722

SCHEMBL13613722

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

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.49
HSD11B2 P80365 1/20 0.38
BRD4 O60885 1/20 0.38
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
HCRTR2 O43614 1/20 0.35
USP2 O75604 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
NR1H2 P55055 2/20 0.33
RECQL P46063 1/20 0.31
CTSK P43235 1/20 0.31
ABCB1 P08183 1/20 0.30
EPHX2 P34913 1/20 0.30
HPGD P15428 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
SCHEMBL28067987 1.00 SPHK1 (0.49) SPHK1HSD11B2BRD4CHRM2CHRM1
SCHEMBL16325799 1.00 SPHK1 (0.49) SPHK1HSD11B2BRD4CHRM2CHRM1
SCHEMBL4594516 0.90 SPHK1 (0.48) SPHK1HSD11B2BRD4CHRM2CHRM1
SCHEMBL1863728 0.87 SPHK1 (0.46) SPHK1HSD11B2BRD4CHRM2CHRM1
SCHEMBL14489664 0.87 SPHK1 (0.46) SPHK1HSD11B2BRD4CHRM2CHRM1
SCHEMBL1863729 0.87 SPHK1 (0.46) SPHK1HSD11B2BRD4CHRM2CHRM1
SCHEMBL6125269 0.87 SPHK1 (0.53) SPHK1HSD11B2BRD4CHRM2CHRM1
SCHEMBL20621505 0.87 SPHK1 (0.53) SPHK1HSD11B2BRD4CHRM2CHRM1
SCHEMBL1067809 0.87 SPHK1 (0.50) SPHK1HSD11B2BRD4CHRM2CHRM1
SCHEMBL1526136 0.87 SPHK1 (0.50) SPHK1HSD11B2BRD4CHRM2CHRM1

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 6 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-20090275727-A1 Peptide turn mimetics MIMETICA PTY LIMITED (AU) 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 (3 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-20090275727-A1 Peptide turn mimetics IAPP, GLP1R, VIP SPHK1 1979/4885HSD11B2 4371/4885BRD4 1345/4885
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

“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.