SCHEMBL785315

SCHEMBL785315

CC(C)(C)OC(=O)NC1CCc2c(F)cc(C(=O)O)cc21

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 2/20 0.42
▸ GAA P10253 1/20 0.40
▸ NFKB1 P19838 1/20 0.36
▸ NFKB2 Q00653 1/20 0.36
▸ RELA Q04206 1/20 0.36
▸ BTK Q06187 1/20 0.35
▸ BDKRB1 P46663 1/20 0.35
▸ KDM1A O60341 2/20 0.34
▸ MAOB P27338 1/20 0.34
▸ TRPA1 O75762 1/20 0.34
▸ EPHX2 P34913 1/20 0.34
▸ MAPT P10636 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ CYP11B1 P15538 1/20 0.33
▸ CYP11B2 P19099 1/20 0.33
▸ KCNA3 P22001 1/20 0.33
▸ SCN9A Q15858 1/20 0.33

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
SCHEMBL785741 0.89 GAA (0.41) RORCGAANFKB1NFKB2RELA
SCHEMBL785742 0.89 GAA (0.41) RORCGAANFKB1NFKB2RELA
Acetic Acid SCHEMBL28780395 0.86 GAA (0.40) RORCGAANFKB1NFKB2RELA
SCHEMBL883766 0.84 GAA (0.40) RORCGAANFKB1NFKB2RELA
SCHEMBL803714 0.84 GAA (0.40) RORCGAANFKB1NFKB2RELA
SCHEMBL19961240 0.80 CYP11B1 (0.41) GAANFKB1NFKB2RELABTK
SCHEMBL484634 0.78 PDE4A (0.45) GAANFKB1NFKB2RELAMAPT
SCHEMBL784858 0.78 PDE4A (0.45) GAANFKB1NFKB2RELAMAPT
SCHEMBL21178500 0.76 PDE4A (0.45) RORCGAANFKB1NFKB2RELA
SCHEMBL8225460 0.76 PDE4A (0.45) RORCGAANFKB1NFKB2RELA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 — — US disclosed
EP-2619178-A1 SUBSTITUTED BENZAMIDE COMPOUNDS Grünenthal GmbH (DE) 2013-07-31 — — EP disclosed
WO-2012038081-A1 SUBSTITUTED BENZAMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-03-29 — — WO disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 — — 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 (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-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 RORC 4667/4885GAA 3227/4885NFKB1 706/4885

“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.

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