SCHEMBL20886745

SCHEMBL20886745

O[C@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1COCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 1/20 0.52
▸ NT5E P21589 1/20 0.48
▸ PTPN1 P18031 8/20 0.46
▸ CDC25B P30305 8/20 0.46
▸ PTPN2 P17706 4/20 0.46
▸ PTPN6 P29350 4/20 0.46
▸ PTPN11 Q06124 4/20 0.46
▸ TACR2 P21452 3/20 0.46
▸ BCHE P06276 2/20 0.46
▸ ACHE P22303 2/20 0.46
▸ GJB2 P29033 1/20 0.45
▸ SSTR1 P30872 1/20 0.45
▸ SSTR2 P30874 1/20 0.45
▸ SSTR4 P31391 1/20 0.45
▸ SSTR3 P32745 1/20 0.45
▸ SSTR5 P35346 1/20 0.45

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
SCHEMBL19745164 0.90 HTR1A (0.52) HTR1ANT5EPTPN1CDC25BPTPN2
SCHEMBL17040197 0.90 HTR1A (0.52) HTR1ANT5EPTPN1CDC25BPTPN2
SCHEMBL1561732 0.90 HTR1A (0.52) HTR1ANT5EPTPN1CDC25BPTPN2
SCHEMBL1561736 0.90 HTR1A (0.52) HTR1ANT5EPTPN1CDC25BPTPN2
SCHEMBL13204990 0.90 HTR1A (0.52) HTR1ANT5EPTPN1CDC25BPTPN2
SCHEMBL2562480 0.90 HTR1A (0.52) HTR1ANT5EPTPN1CDC25BPTPN2
SCHEMBL14571365 0.90 HTR1A (0.52) HTR1ANT5EPTPN1CDC25BPTPN2
SCHEMBL20223437 0.90 HTR1A (0.52) HTR1ANT5EPTPN1CDC25BPTPN2
SCHEMBL13591465 0.90 HTR1A (0.52) HTR1ANT5EPTPN1CDC25BPTPN2
SCHEMBL1562064 0.90 HTR1A (0.52) HTR1ANT5EPTPN1CDC25BPTPN2

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-10669298-B2 Mannose derivatives for treating bacterial infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-06-02 — — US disclosed
US-20190106450-A1 Mannose Derivatives for Treating Bacterial Infections VERTEX PHARMACEUTICALS INCORPORATED 2019-04-11 — — 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-20190106450-A1 Mannose Derivatives for Treating Bacterial Infections MPI, MANBA, MAN2A1 HTR1A 4424/4885NT5E 829/4885PTPN1 2363/4885
US-10669298-B2 Mannose derivatives for treating bacterial infections MPI, MANBA, MAN2A1 HTR1A 4424/4885NT5E 829/4885PTPN1 2363/4885

“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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