SCHEMBL1759787

SCHEMBL1759787

N[C@H](CO)CCc1ccc(NS(=O)(=O)c2cccc3cnccc23)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKD3 O94806 3/20 0.49
▸ PRKCG P05129 3/20 0.49
▸ PRKCB P05771 3/20 0.49
▸ PRKCA P17252 3/20 0.49
▸ PRKCH P24723 3/20 0.49
▸ PRKCI P41743 3/20 0.49
▸ PRKCE Q02156 3/20 0.49
▸ PRKCQ Q04759 3/20 0.49
▸ PRKCZ Q05513 3/20 0.49
▸ PRKCD Q05655 3/20 0.49
▸ PRKD1 Q15139 3/20 0.49
▸ PRKACA P17612 3/20 0.49
▸ PRKACG P22612 3/20 0.49
▸ PRKACB P22694 3/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ CYP3A4 P08684 2/20 0.49
▸ CYP2D6 P10635 2/20 0.49
▸ NFKB1 P19838 2/20 0.49
▸ TP53 P04637 1/20 0.49

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
SCHEMBL12234403 0.80 PKLR (0.42) PKLRF2FLT3KCNA5P2RX7
SCHEMBL17737761 0.76 PRKD3 (0.59) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL17737346 0.75 MEN1 (0.60) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL17737439 0.74 MEN1 (0.54) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL1760052 0.74 — —
SCHEMBL7435898 0.72 PRKCG (0.65) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL7433187 0.71 PRKCA (0.60) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL7431698 0.71 PRKACA (0.67) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL117035 0.70 PRKCG (0.62) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL7312125 0.70 PRKACA (0.78) PRKD3PRKCGPRKCBPRKCAPRKCH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011057973-A1 OXAZOLINE DERIVATIVES FOR TREATMENT OF CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2011-05-19 — — WO disclosed
US-20110112080-A1 OXAZOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-05-12 — — 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-20110112080-A1 OXAZOLINE DERIVATIVES TAAR1, HCRTR1, NPY1R PRKD3 3802/4885PRKCG 4348/4885PRKCB 3782/4885

“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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