SCHEMBL8653182

SCHEMBL8653182

O=C(OC[C@H]1O[C@H](O)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 2/20 0.55
▸ POLB P06746 2/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ PTPN1 P18031 2/20 0.50
▸ LGALS9 O00182 1/20 0.48
▸ LGALS1 P09382 1/20 0.48
▸ LGALS3 P17931 1/20 0.48
▸ LGALS7; LGALS7B P47929 1/20 0.48
▸ CA1 P00915 2/20 0.47
▸ CA2 P00918 2/20 0.47
▸ TSHR P16473 1/20 0.47
▸ CA9 Q16790 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.46
▸ F11 P03951 2/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ TMPRSS2 O15393 1/20 0.46
▸ PDE5A O76074 1/20 0.46
▸ HMGCR P04035 1/20 0.46
▸ CYP1A2 P05177 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
SCHEMBL6219613 1.00 USP2 (0.55) USP2POLBMEN1KMT2APTPN1
SCHEMBL13271930 1.00 USP2 (0.55) USP2POLBMEN1KMT2APTPN1
SCHEMBL10630111 1.00 USP2 (0.55) USP2POLBMEN1KMT2APTPN1
SCHEMBL12326365 1.00 USP2 (0.55) USP2POLBMEN1KMT2APTPN1
SCHEMBL6220333 1.00 USP2 (0.55) USP2POLBMEN1KMT2APTPN1
SCHEMBL3651596 1.00 USP2 (0.55) USP2POLBMEN1KMT2APTPN1
SCHEMBL25029339 1.00 USP2 (0.55) USP2POLBMEN1KMT2APTPN1
SCHEMBL18395710 1.00 USP2 (0.55) USP2POLBMEN1KMT2APTPN1
SCHEMBL3776331 1.00 USP2 (0.55) USP2POLBMEN1KMT2APTPN1
SCHEMBL26867534 1.00 USP2 (0.55) USP2POLBMEN1KMT2APTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10925887-B2 Steroid saponins with anti-cancer activity ONCOLOGY RES INTERNATIONAL LIMITED (AU) 2021-02-23 — — US disclosed
EP-2852607-B1 SYNTHESIS OF STEROID SAPONINS ONCOLOGY RES INTERNATIONAL LIMITED (AU) 2018-10-24 — — EP disclosed
EP-3066108-A1 4-{4-[(1 E)-4-(2,9-DIAZASPIRO[5.5]UNDEC-2-YL)BUT-1 -EN-1 -YL]-2-METHYLBENZYL}-5-(PROPAN-2-YL)-1 H-PYRAZOL-3-YL BETA-D- GLUCOPYRANOSIDE ACETATE Eli Lilly and Company (US) 2016-09-14 — — EP disclosed
WO-2015069541-A1 4-{4-[(1 E)-4-(2,9-DIAZASPIRO[5.5]UNDEC-2-YL)BUT-1 -EN-1 -YL]-2-METHYLBENZYL}-5-(PROPAN-2-YL)-1 H-PYRAZOL-3-YL BETA-D- GLUCOPYRANOSIDE ACETATE ELI LILLY AND COMPANY (US) 2015-05-14 — — WO disclosed
US-20150105543-A1 SYNTHESIS ONCOLOGY RESEARCH INTERNATIONAL LIMITED (AU) 2015-04-16 — — US disclosed
US-5756712-A REPLACING THE ETHER OXYGEN LINKAGE OF OLIGOSACCHARIDES WITH A PEPTIDE LINK, WHERE THE NITROGEN ATOM IS LINKED TO THE ANOMERIC CARBON ATOM OF THE SUGAR E. I. DU PONT DE NEMOURS AND COMPANY (US) 1998-05-26 — — US disclosed
EP-0553297-B1 PROCESS FOR THE PREPARATION OF GLYCOSYL PHOSPHATE TRIESTERS DU PONT (US) 1995-01-25 — — EP disclosed
US-5288859-A Reacting metal azide with glycosyl phosphate triester E. I. DU PONT DE NEMOURS AND COMPANY (US) 1994-02-22 — — US disclosed
WO-1992009612-A1 PROCESS FOR THE PREPARATION OF GLYCOSYL PHOSPHATE TRIESTERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-06-11 — — WO disclosed
US-5095123-A Phosphorylation E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-03-10 — — US disclosed
US-4792615-A HYDROLYSIS OF A-DIHYDROPOLYPRENYL DICHLOROPHOSPHATE WITH ALKALI OR ALKALINE EARTH METAL HYDROXIDE; POLYISOPRENE NAKAGAWA NAOSHI (JP) 1988-12-20 — — 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-10925887-B2 Steroid saponins with anti-cancer activity CD4, NFATC1, HSD11B1 USP2 4364/4885POLB 3455/4885MEN1 3905/4885
US-20150105543-A1 SYNTHESIS CYP17A1, CYP21A2, CYP11A1 USP2 2499/4885POLB 4639/4885MEN1 1047/4885

“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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