SCHEMBL803655

SCHEMBL803655

CC(C)(C)OC(=O)NC1CC(C)(C)c2ccc(C(=O)O)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 5/20 0.41
RXRB P28702 4/20 0.41
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
MAPT P10636 1/20 0.38
RXRG P48443 3/20 0.38
GAA P10253 1/20 0.37
RARB P10826 6/20 0.36
RARG P13631 6/20 0.36
RARA P10276 5/20 0.36
CYP26A1 O43174 4/20 0.36
CYP26B1 Q9NR63 2/20 0.36
CYP3A4 P08684 3/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
RORC P51449 1/20 0.36
KMT2A Q03164 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 2/20 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
SCHEMBL484386 0.89 CYP3A4 (0.39) NFKB1NFKB2RELAMAPTGAA
SCHEMBL784858 0.78 PDE4A (0.45) NFKB1NFKB2RELAMAPTGAA
SCHEMBL484634 0.78 PDE4A (0.45) NFKB1NFKB2RELAMAPTGAA
SCHEMBL13131402 0.76 NFKB1 (0.39) RXRARXRBNFKB1NFKB2RELA
SCHEMBL803449 0.76 HTT (0.47) KMT2AMEN1ALDH1A1CYP1A2
SCHEMBL803654 0.75 GPR119 (0.38) ALDH1A1
SCHEMBL485985 0.74 PYGL (0.46) RXRARARBRARGKMT2AALDH1A1
SCHEMBL17988169 0.74 KDM1A (0.51) RXRARXRBNFKB1NFKB2RELA
SCHEMBL15235436 0.74 PYGL (0.46) RXRARARBRARGKMT2AALDH1A1
SCHEMBL803438 0.73 PDE4A (0.45) NFKB1NFKB2RELAMAPTGAA

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 10 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-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 US disclosed
US-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 US disclosed
US-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 US disclosed
US-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 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
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 US disclosed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 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-20130231327-A1 Substituted Spiro-Amide Compounds BDKRB1, BDKRB2, REN RXRA 527/4885RXRB 643/4885NFKB1 516/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN RXRA 527/4885RXRB 643/4885NFKB1 516/4885
US-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 RXRA 1165/4885RXRB 955/4885NFKB1 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.