SCHEMBL5546192

SCHEMBL5546192

CCCCCC(=O)NC1[C@H](C)OC(C(=O)O)[C@@H](O)[C@@H]1O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 8/20 0.43
▸ CNR1 P21554 6/20 0.43
▸ CNR2 P34972 6/20 0.43
▸ AKT1 P31749 1/20 0.42
▸ NEU1 Q99519 3/20 0.38
▸ NEU2 Q9Y3R4 3/20 0.38
▸ TLR4 O00206 3/20 0.38
▸ GNAI3 P08754 1/20 0.37
▸ GNAO1 P09471 1/20 0.37
▸ GNAI1 P63096 1/20 0.37
▸ HSP90AA1 P07900 1/20 0.37

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
SCHEMBL5546177 0.99 TRPV1 (0.46) TRPV1CNR1CNR2AKT1NEU1
SCHEMBL5546611 0.99 TRPV1 (0.46) TRPV1CNR1CNR2AKT1NEU1
SCHEMBL5545013 0.90 PYGB (0.42) TRPV1CNR1CNR2AKT1NEU1
SCHEMBL5540221 0.84 PAX8 (0.45) TRPV1CNR1CNR2AKT1NEU1
SCHEMBL5538106 0.83 TRPV1 (0.42) TRPV1CNR1CNR2
SCHEMBL5545047 0.83 TRPV1 (0.42) TRPV1CNR1CNR2
SCHEMBL22431121 0.80 PYGB (0.51) TRPV1CNR1CNR2TLR4
SCHEMBL22431363 0.80 PYGB (0.51) TRPV1CNR1CNR2TLR4
SCHEMBL5544908 0.77 PAX8 (0.42) TRPV1CNR1CNR2
SCHEMBL7392756 0.76 TRPV1 (0.48) TRPV1CNR1CNR2TLR4GNAI3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8951961-B2 Structural and mechanistic basis for novel compound biosynthesis using 4-electron hexose oxidase ACADEMIA SINICA (TW) 2015-02-10 — — US disclosed
US-20130288955-A1 STRUCTURAL AND MECHANISTIC BASIS FOR NOVEL COMPOUND BIOSYNTHESIS USING 4-ELECTRON HEXOSE OXIDASE ACADEMIA SINICA (TW) 2013-10-31 — — US disclosed
US-8507427-B2 Structural and mechanistic basis for novel compound biosynthesis using the 4-electron hexose oxidase ACADEMIA SINICA (TW) 2013-08-13 — — US disclosed
US-20120108498-A1 STRUCTURAL AND MECHANISTIC BASIS FOR NOVEL COMPOUND BIOSYNTHESIS USING THE 4-ELECTRON HEXOSE OXIDASE ACADEMIA SINICA (TW) 2012-05-03 — — 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 (2 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-20120108498-A1 STRUCTURAL AND MECHANISTIC BASIS FOR NOVEL COMPOUND BIOSYNTHESIS USING THE 4-ELECTRON HEXOSE OXIDASE G6PD, DHRS9, CYP2C9 TRPV1 2816/4885CNR1 2667/4885CNR2 2538/4885
US-20130288955-A1 STRUCTURAL AND MECHANISTIC BASIS FOR NOVEL COMPOUND BIOSYNTHESIS USING 4-ELECTRON HEXOSE OXIDASE G6PD, CYP4X1, UGT1A9 TRPV1 2482/4885CNR1 2657/4885CNR2 2549/4885

“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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