SCHEMBL13182756

SCHEMBL13182756

C[C@@H](NC(=O)OC(C)(C)C)c1ccc(B(O)O)cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 2/20 0.41
▸ AAK1 Q2M2I8 2/20 0.39
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA7 P43166 1/20 0.38
▸ CTSS P25774 3/20 0.36
▸ CTSK P43235 3/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ TSHR P16473 2/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ PDE2A O00408 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ PPARG P37231 1/20 0.35
▸ NCOA2 Q15596 1/20 0.35
▸ NCOA1 Q15788 1/20 0.35
▸ NCOA3 Q9Y6Q9 1/20 0.35
▸ MAPT P10636 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP3A5 P20815 1/20 0.34

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
SCHEMBL17041588 0.84 TRPA1 (0.44) TRPA1AAK1CTSSCTSKKMT2A
SCHEMBL23548856 0.82 CA1 (0.40) TRPA1AAK1CA1CA2CA7
SCHEMBL23199606 0.82 CA1 (0.40) TRPA1AAK1CA1CA2CA7
SCHEMBL15092375 0.82 AAK1 (0.57) TRPA1AAK1CTSSCTSKKMT2A
SCHEMBL21456250 0.82 AAK1 (0.57) TRPA1AAK1CTSSCTSKKMT2A
SCHEMBL30578931 0.82 AAK1 (0.57) TRPA1AAK1CTSSCTSKKMT2A
SCHEMBL9947819 0.82 AAK1 (0.57) TRPA1AAK1CTSSCTSKKMT2A
SCHEMBL29373654 0.82 AAK1 (0.57) TRPA1AAK1CTSSCTSKKMT2A
SCHEMBL16046901 0.81 TRPA1 (0.49) TRPA1AAK1CTSSCTSKKMT2A
SCHEMBL18040191 0.81 AAK1 (0.42) TRPA1AAK1CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7790754-B2 Alpha-hydroxy amides as bradykinin antagonists or inverse agonists MERCK SHARP & DOHME CORP. (US) 2010-09-07 — — US disclosed
EP-1706372-B1 ALPHA-HYDROXY AMIDES AS BRADYKININ ANTAGONISTS OR INVERSE AGONISTS MERCK SHARP & DOHME (US) 2010-05-19 — — EP disclosed
US-20080318976-A1 Alpha-Hydroxy Amides as Bradykinin Antagonists or Inverse Agonists MERCK SHARP & DOHME CORP. 2008-12-25 — — 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-20080318976-A1 Alpha-Hydroxy Amides as Bradykinin Antagonists or Inverse Agonists BDKRB1, BDKRB2, HCAR2 TRPA1 128/4885AAK1 1795/4885CA1 2371/4885

“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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