SCHEMBL8671879

SCHEMBL8671879

CC(=O)OC[C@H]1OC(OC(C)=O)[C@@H](F)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 1/20 0.59
▸ THRB P10828 1/20 0.59
▸ HSD17B10 Q99714 1/20 0.59
▸ TSHR P16473 1/20 0.51
▸ NR3C1 P04150 1/20 0.51
▸ FYN P06241 1/20 0.51
▸ ADRA2A P08913 1/20 0.51
▸ ADORA3 P0DMS8 1/20 0.51
▸ ADRA2B P18089 1/20 0.51
▸ DRD4 P21917 1/20 0.51
▸ DRD3 P35462 1/20 0.51
▸ CA2 P00918 7/20 0.51
▸ CA12 O43570 6/20 0.50
▸ CA1 P00915 6/20 0.50
▸ CA9 Q16790 4/20 0.50
▸ LMNA P02545 3/20 0.50
▸ CA4 P22748 2/20 0.47
▸ CA5A P35218 2/20 0.47
▸ CA7 P43166 2/20 0.47
▸ CA5B Q9Y2D0 2/20 0.47

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
SCHEMBL1776767 1.00 CYP2D6 (0.59) CYP2D6THRBHSD17B10TSHRNR3C1
SCHEMBL7565739 1.00 CYP2D6 (0.59) CYP2D6THRBHSD17B10TSHRNR3C1
SCHEMBL6788287 1.00 CYP2D6 (0.59) CYP2D6THRBHSD17B10TSHRNR3C1
SCHEMBL130217 1.00 CYP2D6 (0.59) CYP2D6THRBHSD17B10TSHRNR3C1
SCHEMBL12281867 1.00 CYP2D6 (0.59) CYP2D6THRBHSD17B10TSHRNR3C1
SCHEMBL25083758 1.00 CYP2D6 (0.59) CYP2D6THRBHSD17B10TSHRNR3C1
SCHEMBL6788279 1.00 CYP2D6 (0.59) CYP2D6THRBHSD17B10TSHRNR3C1
SCHEMBL12237522 1.00 CYP2D6 (0.59) CYP2D6THRBHSD17B10TSHRNR3C1
SCHEMBL19861473 1.00 CYP2D6 (0.59) CYP2D6THRBHSD17B10TSHRNR3C1
SCHEMBL16215761 1.00 CYP2D6 (0.59) CYP2D6THRBHSD17B10TSHRNR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970353-B1 MANNOSE DERIVATIVES FOR TREATING BACTERIAL INFECTIONS VERTEX PHARMA (US) 2018-04-18 — — EP disclosed
US-9890176-B2 Mannose derivatives for treating bacterial infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-02-13 — — US disclosed
EP-2970353-A2 MANNOSE DERIVATIVES FOR TREATING BACTERIAL INFECTIONS Vertex Pharmaceuticals Incorporated (US) 2016-01-20 — — EP disclosed
WO-2014165107-A2 MANNOSE DERIVATIVES FOR TREATING BACTERIAL INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-10-09 — — WO disclosed
US-20140274930-A1 MANNOSE DERIVATIVES FOR TREATING BACTERIAL INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-18 — — US disclosed
US-5770407-A Process for preparing nucleotide inhibitors of glycosyltransferases THE SCRIPPS RESEARCH INSTITUTE (US) 1998-06-23 — — 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-20140274930-A1 MANNOSE DERIVATIVES FOR TREATING BACTERIAL INFECTIONS TLR5, TLR1, MANBA CYP2D6 2933/4885THRB 3734/4885HSD17B10 3342/4885

“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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