SCHEMBL23119152

SCHEMBL23119152

CON1C(=O)[C@H](NC(=O)OC(C)(C)C)Cc2ccc(O)cc21

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.38
ESR2 Q92731 6/20 0.38
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
ESR1 P03372 4/20 0.36
NPY1R P25929 1/20 0.35
EPHX2 P34913 1/20 0.35
KDM1A O60341 1/20 0.34
SCN9A Q15858 1/20 0.33
BACE1 P56817 1/20 0.33
MIF P14174 1/20 0.33
PYGL P06737 1/20 0.33
PYGM P11217 1/20 0.33
NQO2 P16083 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
SCHEMBL23119153 0.90 NPY1R (0.45) NPY1RSCN9A
SCHEMBL7419284 0.88 AADAT (0.40) GAANFKB1NFKB2RELASCN9A
SCHEMBL7423564 0.88 KYAT1 (0.46) GAANFKB1NFKB2RELAKDM1A
SCHEMBL9974770 0.85 LIPG (0.39) NPY1REPHX2SCN9APYGLPYGM
SCHEMBL9966166 0.84 ESR2 (0.35) ESR2ESR1PYGLPYGM
SCHEMBL9974767 0.81 DRD2 (0.37) GAANFKB1NFKB2RELAKDM1A
SCHEMBL24190214 0.79 GAA (0.38) GAANFKB1NFKB2RELAEPHX2
SCHEMBL6762623 0.78 BACE1 (0.41) GAANFKB1NFKB2RELANPY1R
SCHEMBL6832201 0.78 BACE1 (0.41) GAANFKB1NFKB2RELANPY1R
SCHEMBL6762742 0.78 BACE1 (0.41) GAANFKB1NFKB2RELANPY1R

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-20210079017-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2021-03-18 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-20210079017-A1 NEPRILYSIN INHIBITORS MME, REN, ACE GAA 125/4885ESR2 2695/4885NFKB1 1230/4885

“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.