SCHEMBL21657197

SCHEMBL21657197

OCC[C@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 1/20 0.50
▸ PTPN1 P18031 8/20 0.49
▸ CDC25B P30305 7/20 0.49
▸ NT5E P21589 1/20 0.49
▸ SSTR1 P30872 1/20 0.48
▸ SSTR2 P30874 1/20 0.48
▸ SSTR4 P31391 1/20 0.48
▸ SSTR3 P32745 1/20 0.48
▸ SSTR5 P35346 1/20 0.48
▸ PTPN2 P17706 4/20 0.47
▸ PTPN11 Q06124 4/20 0.47
▸ PTPN6 P29350 3/20 0.47
▸ TACR2 P21452 2/20 0.47
▸ PDE4D Q08499 1/20 0.46

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
SCHEMBL10352583 0.99 HTR1A (0.51) HTR1APTPN1CDC25BNT5ESSTR1
SCHEMBL10400344 0.99 HTR1A (0.51) HTR1APTPN1CDC25BNT5ESSTR1
SCHEMBL16632204 0.92 SSTR1 (0.49) HTR1APTPN1CDC25BNT5ESSTR1
SCHEMBL16632203 0.92 SSTR1 (0.49) HTR1APTPN1CDC25BNT5ESSTR1
SCHEMBL16632115 0.92 SSTR1 (0.49) HTR1APTPN1CDC25BNT5ESSTR1
SCHEMBL16632114 0.92 SSTR1 (0.49) HTR1APTPN1CDC25BNT5ESSTR1
SCHEMBL18482846 0.91 PDE4D (0.46) HTR1APTPN1CDC25BNT5ESSTR1
SCHEMBL1770724 0.91 SSTR1 (0.48) HTR1APTPN1CDC25BNT5ESSTR1
SCHEMBL10400275 0.90 HTR1A (0.49) HTR1APTPN1CDC25BNT5ESSTR1
SCHEMBL10408388 0.90 HTR1A (0.49) HTR1APTPN1CDC25BNT5ESSTR1

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
EP-3966210-A1 NOVEL COMPOUNDS GlaxoSmithKline Intellectual Property Development Limited (GB) 2022-03-16 — — EP disclosed
US-10543223-B2 Mannose derivatives useful for treating pathologies associated with adherent E. coli ENTEROME (FR) 2020-01-28 — — 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-10543223-B2 Mannose derivatives useful for treating pathologies associated with adherent E. coli FPR3, CCR3, RXFP3 HTR1A 2229/4885PTPN1 3404/4885CDC25B 4489/4885

“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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