SCHEMBL318196

SCHEMBL318196

CC(C)N1CCCC(NC(=O)OC(C)(C)C)C1=O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.46
F10 P00742 1/20 0.46
PRSS1 P07477 1/20 0.46
GAA P10253 2/20 0.44
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
NFKB1 P19838 4/20 0.40
NFKB2 Q00653 4/20 0.40
RELA Q04206 4/20 0.40
CTSK P43235 2/20 0.39
BTK Q06187 1/20 0.39
SCN9A Q15858 1/20 0.38

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
SCHEMBL318194 1.00 F2 (0.46) F2F10PRSS1GAACA1
SCHEMBL10264443 0.92 GAA (0.46) F2F10PRSS1GAACA1
SCHEMBL325216 0.92 GAA (0.46) F2F10PRSS1GAACA1
SCHEMBL2757112 0.86 MMP1 (0.37)
SCHEMBL10792822 0.85 XIAP (0.42) F2F10PRSS1GAANFKB1
SCHEMBL10795583 0.85 F2 (0.41) F2F10PRSS1GAACA1
SCHEMBL10792831 0.85 XIAP (0.42) F2F10PRSS1GAANFKB1
SCHEMBL10795587 0.85 F2 (0.41) F2F10PRSS1GAACA1
SCHEMBL10795823 0.84 F2 (0.41) F2F10PRSS1GAABTK
SCHEMBL10795819 0.84 F2 (0.41) F2F10PRSS1GAABTK

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
US-20190330224-A1 ACC INHIBITORS AND USES THEREOF Nimbus Apollo, Inc. 2019-10-31 US disclosed
US-20170145028-A1 ACC INHIBITORS AND USES THEREOF GILEAD APOLLO, LLC (US) 2017-05-25 US disclosed
US-20170145028-A1 ACC INHIBITORS AND USES THEREOF GILEAD APOLLO, LLC (US) 2017-05-25 US disclosed
WO-2017075056-A1 ACC INHIBITORS AND USES THEREOF GILEAD APOLLO, LLC (US) 2017-05-04 WO disclosed
EP-2585447-A2 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS Vertex Pharmaceuticals Incorporated (US) 2013-05-01 EP disclosed
WO-2012006055-A2 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-01-12 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 (2 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-20170145028-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 F2 2894/4885F10 2949/4885PRSS1 1827/4885
US-20190330224-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 F2 2894/4885F10 2949/4885PRSS1 1827/4885

“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.