SCHEMBL785742

SCHEMBL785742

COC(=O)c1cc(F)c2c(c1)[C@H](NC(=O)OC(C)(C)C)CC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.41
▸ RORC P51449 1/20 0.37
▸ KMT2A Q03164 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ UCHL1 P09936 1/20 0.36
▸ USP30 Q70CQ3 1/20 0.36
▸ NFKB1 P19838 2/20 0.35
▸ NFKB2 Q00653 2/20 0.35
▸ RELA Q04206 2/20 0.35
▸ BDKRB1 P46663 1/20 0.34
▸ CHRNB2 P17787 1/20 0.34
▸ CHRNA4 P43681 1/20 0.34
▸ KDM4D Q6B0I6 2/20 0.34
▸ TRPA1 O75762 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ XDH P47989 1/20 0.33
▸ GFER P55789 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 1.00 GAA (0.41) GAARORCKMT2AMEN1MAPT
SCHEMBL785315 0.89 RORC (0.42) GAARORCKMT2AMAPTNFKB1
SCHEMBL803714 0.83 GAA (0.40) GAARORCKMT2AUSP30NFKB1
SCHEMBL883766 0.83 GAA (0.40) GAARORCNFKB1NFKB2RELA
Acetic Acid SCHEMBL28780395 0.82 GAA (0.40) GAARORCNFKB1NFKB2RELA
SCHEMBL484424 0.79 KMT2A (0.47) GAAKMT2AMEN1MAPTNFKB1
SCHEMBL484423 0.79 KMT2A (0.47) GAAKMT2AMEN1MAPTNFKB1
SCHEMBL19961240 0.79 CYP11B1 (0.41) GAANFKB1NFKB2RELA
SCHEMBL803935 0.76 CHRNB2 (0.48) GAAKMT2AMEN1MAPTNFKB1
SCHEMBL803561 0.75 ALDH1A1 (0.49) KMT2AMEN1POLBL3MBTL1PDE10A

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 7 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
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 — — US disclosed
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 — — US 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
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 — — US 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 GAA 3227/4885RORC 4667/4885KMT2A 2222/4885

“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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