SCHEMBL2788555

SCHEMBL2788555

O=C(OC[C@H]1O[C@](O)(C(=O)c2cc(O)c(O)c(O)c2)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS2 O15393 1/20 0.52
▸ USP2 O75604 1/20 0.52
▸ PDE5A O76074 1/20 0.52
▸ CA1 P00915 1/20 0.52
▸ CA2 P00918 1/20 0.52
▸ HMGCR P04035 1/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ LCK P06239 1/20 0.52
▸ FYN P06241 1/20 0.52
▸ HSPD1 P10809 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ CA6 P23280 1/20 0.52
▸ TBXAS1 P24557 1/20 0.52
▸ MAPK3 P27361 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ HSPE1 P61604 1/20 0.52
▸ MAPK14 Q16539 1/20 0.52
▸ TST Q16762 1/20 0.52
▸ SLCO1B3 Q9NPD5 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL14257929 0.79 PTPN1 (0.51) TMPRSS2USP2PDE5ACA1CA2
SCHEMBL28090068 0.79 TDP1 (0.47) TMPRSS2USP2PDE5ACA1CA2
SCHEMBL4873777 0.78 MAPT (0.40) TMPRSS2USP2PDE5ACA1CA2
SCHEMBL18197055 0.78 TMPRSS2 (0.73) TMPRSS2USP2PDE5ACA1CA2
SCHEMBL2603151 0.78 TMPRSS2 (0.73) TMPRSS2USP2PDE5ACA1CA2
SCHEMBL22130786 0.78 TMPRSS2 (0.73) TMPRSS2USP2PDE5ACA1CA2
SCHEMBL10182003 0.76 MAPT (0.50) USP2CA1CA2MAPK1L3MBTL1
SCHEMBL22130787 0.76 L3MBTL1 (0.64) TMPRSS2USP2PDE5ACA1CA2
SCHEMBL4625578 0.74 MAPT (0.50) USP2CA1CA2MAPK1PTPN1
Pentagalloyl Glucose SCHEMBL23484369 0.73 USP2 (0.86) TMPRSS2USP2PDE5ACA1CA2

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-20100292157-A1 Combination Treatments for Alzheimer's Disease and Similar Diseases WARATAH PHARMACEUTICALS INC. (CA) 2010-11-18 — — US disclosed
EP-2091566-A1 COMBINATION TREATMENTS FOR ALZHEIMER'S DISEASE AND SIMILAR DISEASES Waratah Pharmaceuticals, Inc. (CA) 2009-08-26 — — EP disclosed
WO-2008061373-A1 COMBINATION TREATMENTS FOR ALZHEIMER'S DISEASE AND SIMILAR DISEASES WARATAH PHARMACEUTICALS INC. (CA) 2008-05-29 — — WO disclosed
WO-2007130383-A2 COMPOSITIONS AND TREATMENTS USING PYRIDAZINE COMPOUNDS AND SECRETASES NORTHWESTERN UNIVERSITY (US) 2007-11-15 — — WO 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-20100292157-A1 Combination Treatments for Alzheimer's Disease and Similar Diseases APP, PSEN1, BACE1 TMPRSS2 563/4885USP2 352/4885PDE5A 2303/4885

“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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