SCHEMBL3272584

SCHEMBL3272584

O=C(OCC1OC(Br)C(OC(=O)c2ccccc2)C(OC(=O)c2ccccc2)C1OC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.54
POLB P06746 2/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
PTPN1 P18031 4/20 0.49
PTPN2 P17706 1/20 0.46
PTPN11 Q06124 1/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 1/20 0.46
TSHR P16473 1/20 0.46
ALDH1A1 P00352 1/20 0.45
F11 P03951 2/20 0.45
MAPK1 P28482 2/20 0.45
TMPRSS2 O15393 1/20 0.45
PDE5A O76074 1/20 0.45
HMGCR P04035 1/20 0.45
CYP1A2 P05177 1/20 0.45
LCK P06239 1/20 0.45
FYN P06241 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
SCHEMBL1726977 1.00 USP2 (0.54) USP2POLBMEN1KMT2APTPN1
SCHEMBL17620221 1.00 USP2 (0.54) USP2POLBMEN1KMT2APTPN1
SCHEMBL17620173 1.00 USP2 (0.54) USP2POLBMEN1KMT2APTPN1
SCHEMBL17620209 1.00 USP2 (0.54) USP2POLBMEN1KMT2APTPN1
SCHEMBL3663518 1.00 USP2 (0.54) USP2POLBMEN1KMT2APTPN1
SCHEMBL1728378 1.00 USP2 (0.54) USP2POLBMEN1KMT2APTPN1
SCHEMBL6022376 1.00 USP2 (0.54) USP2POLBMEN1KMT2APTPN1
SCHEMBL3663517 1.00 USP2 (0.54) USP2POLBMEN1KMT2APTPN1
SCHEMBL14103187 1.00 USP2 (0.54) USP2POLBMEN1KMT2APTPN1
SCHEMBL2493929 0.99 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200181187-A1 PROCESS FOR THE PREPARATION OF (S,S)-SECOISOLARICIRESINOL DIGLUCOSIDE AND (R,R)-SECOISOLARICIRESINOL DIGLUCOSIDE LIGNAMED LLC (US) 2020-06-11 US disclosed
EP-3638220-A1 PROCESS FOR THE PREPARATION OF (S,S LignaMed, LLC (US) 2020-04-22 EP disclosed
WO-2018231691-A1 PROCESS FOR THE PREPARATION OF (S,S)-SECOISOLARICIRESINOL DIGLUCOSIDE AND (R,R)-SECOISOLARICIRESINOL DIGLUCOSIDE LIGNAMED, LLC (US) 2018-12-20 WO disclosed
WO-2018136620-A2 ENDOSOMAL CLEAVABLE LINKERS ALNYLAM PHARMACEUTICALS, INC. (US) 2018-07-26 WO disclosed
US-20150050367-A1 TIMOSAPONIN COMPOUNDS GOLDPORP PHARMA LIMITED (HK) 2015-02-19 US disclosed
US-20120003260-A1 Solid-Phase and Solution-Phase Synthesis of Glycosylphosphatidylinositol Glycans MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-01-05 US disclosed
US-7943594-B2 Solid-phase and solution-phase synthesis of glycosylphosphatidylinositol glycans MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2011-05-17 US disclosed
US-20080171706-A1 Anti-Adhesive Compounds to Prevent and Treat Bacterial Infections VLAAMS INTERUNIVERSITAIR INSTITUUT VOOR BIOTECHNOLOGIE VZW (BE) 2008-07-17 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 (4 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-20150050367-A1 TIMOSAPONIN COMPOUNDS APP, IAPP, BACE1 USP2 4673/4885POLB 3050/4885MEN1 1058/4885
US-20200181187-A1 PROCESS FOR THE PREPARATION OF (S,S)-SECOISOLARICIRESINOL DIGLUCOSIDE AND (R,R)-SECOISOLARICIRESINOL DIGLUCOSIDE LSS, STS, SRM USP2 2142/4885POLB 1943/4885MEN1 3381/4885
US-20080171706-A1 Anti-Adhesive Compounds to Prevent and Treat Bacterial Infections EPCAM, ICAM1, CDH1 USP2 2700/4885POLB 3062/4885MEN1 2598/4885
US-20120003260-A1 Solid-Phase and Solution-Phase Synthesis of Glycosylphosphatidylinositol Glycans GPI, ALG1, FUT5 USP2 3948/4885POLB 2464/4885MEN1 1868/4885

“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.