SCHEMBL4087538

SCHEMBL4087538

CC(C)(C)OC(=O)N[C@@H]1CCCN(P(N)(N)=O)C1=O

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.49
F10 P00742 1/20 0.49
PRSS1 P07477 1/20 0.49
GAA P10253 1/20 0.42
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
DPP4 P27487 3/20 0.38
CTSK P43235 2/20 0.38
BTK Q06187 1/20 0.37
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAP4K4 O95819 1/20 0.35

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
SCHEMBL4082879 1.00 F2 (0.49) F2F10PRSS1GAACA1
SCHEMBL4082868 1.00 F2 (0.49) F2F10PRSS1GAACA1
SCHEMBL4076575 0.85 DPP4 (0.57) F2F10PRSS1GAACA1
SCHEMBL4081541 0.85 DPP4 (0.57) F2F10PRSS1GAACA1
SCHEMBL4077281 0.85 DPP4 (0.57) F2F10PRSS1GAACA1
SCHEMBL4076580 0.85 DPP4 (0.57) F2F10PRSS1GAACA1
SCHEMBL4074086 0.85 DPP4 (0.57) F2F10PRSS1GAACA1
SCHEMBL4074092 0.85 DPP4 (0.57) F2F10PRSS1GAACA1
SCHEMBL4074445 0.81 DPP4 (0.44) F2F10PRSS1CA1CA2
SCHEMBL4074441 0.81 DPP4 (0.44) F2F10PRSS1CA1CA2

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-7531657-B2 Method for preparing sulphostin and analogue thereof or preparation intermediate thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2009-05-12 US disclosed
US-20050020834-A1 Method for preparation of sulphostin and its analogue or intermediates thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2005-01-27 US disclosed
EP-1457494-A1 PROCESSES FOR PREPARATION OF SULPHOSTIN AND ITS ANALOGUES OR INTERMEDIATES THEREOF Nippon Kayaku Kabushiki Kaisha (JP) 2004-09-15 EP 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-20050020834-A1 Method for preparation of sulphostin and its analogue or intermediates thereof SOST, PTMS, FGF23 F2 52/4885F10 696/4885PRSS1 655/4885

“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.