SCHEMBL1930358

SCHEMBL1930358

CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](OC(=N)C(Cl)(Cl)Cl)O[C@H](CO[C@@H]2O[C@H](C(O)C(C)=O)[C@](O)(C(C)=O)[C@@](O)(C(C)=O)[C@]2(O)C(C)=O)[C@H]1OC(C)=O

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.33
THRB P10828 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CA2 P00918 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
SCHEMBL3976154 0.81
SCHEMBL11108863 0.78 CYP2D6 (0.43) CYP2D6THRBHSD17B10CA2
SCHEMBL5756982 0.76 CYP2D6 (0.42) CYP2D6THRBHSD17B10CA2
SCHEMBL8143628 0.74 CA2 (0.41) CYP2D6THRBHSD17B10CA2
SCHEMBL3164862 0.74 CA2 (0.55) CYP2D6THRBHSD17B10CA2
SCHEMBL12531860 0.74 CA2 (0.55) CYP2D6THRBHSD17B10CA2
SCHEMBL18654249 0.74 CA2 (0.55) CYP2D6THRBHSD17B10CA2
SCHEMBL18654350 0.74 CA2 (0.55) CYP2D6THRBHSD17B10CA2
SCHEMBL18105805 0.73 CYP2D6 (0.59) CYP2D6THRBHSD17B10CA2
SCHEMBL15040789 0.73 CYP2D6 (0.59) CYP2D6THRBHSD17B10CA2

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
US-7956039-B2 Use of amygdalin analogues for the treatment of psoriasis UNIVERSITAT POLITÈCNICA DE CATALUNYA (ES) 2011-06-07 US disclosed
US-20080125378-A1 Use of Amygdalin Analogues for the Treatment of Psoriasis UNIVERSITAT POLITECNICA DE CATALUNYA (ES) 2008-05-29 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-20080125378-A1 Use of Amygdalin Analogues for the Treatment of Psoriasis C3AR1, CCR7, C5AR1 CYP2D6 571/4885THRB 3130/4885HSD17B10 967/4885

“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.