SCHEMBL3256038

SCHEMBL3256038

COc1ccc(C(O)C(C)NC(=O)OC(C)(C)C)cn1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 3/20 0.44
CHRNA7 P36544 1/20 0.42
TRPA1 O75762 1/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 2/20 0.38
POLB P06746 1/20 0.38
NNMT P40261 1/20 0.38
ABCB1 P08183 1/20 0.37
ACACB O00763 2/20 0.37
KDM4E B2RXH2 2/20 0.36
MAPT P10636 1/20 0.36
OXTR P30559 1/20 0.35
HPGD P15428 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
SCHEMBL3144727 1.00 NR3C1 (0.44) NR3C1CHRNA7TRPA1KMT2AMEN1
SCHEMBL3144717 1.00 NR3C1 (0.44) NR3C1CHRNA7TRPA1KMT2AMEN1
SCHEMBL27086737 0.82 KDM4E (0.45) TRPA1KMT2AMEN1ALDH1A1ABCB1
SCHEMBL1741864 0.81 GPR139 (0.40) TRPA1
SCHEMBL850878 0.80 NPSR1 (0.49) KMT2AMEN1ALDH1A1ABCB1ACACB
SCHEMBL30695648 0.80 NPSR1 (0.49) KMT2AMEN1ALDH1A1ABCB1ACACB
SCHEMBL23200961 0.79 CTSS (0.41) NR3C1CHRNA7TRPA1KMT2AMEN1
SCHEMBL18660958 0.77 PPARG (0.43) TRPA1KMT2AMEN1ALDH1A1HPGD
SCHEMBL18660808 0.77 PPARG (0.43) TRPA1KMT2AMEN1ALDH1A1HPGD
SCHEMBL18660810 0.77 PPARG (0.43) TRPA1KMT2AMEN1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100080786-A1 Phenyl or Pyridinyl Substituted Indazoles Derivatives ASTRAZENECA AB (SE) 2010-04-01 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-20100080786-A1 Phenyl or Pyridinyl Substituted Indazoles Derivatives CYP3A5, CYP3A43, ABCB1 NR3C1 2328/4885CHRNA7 3736/4885TRPA1 1270/4885

“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.