SCHEMBL3825138

SCHEMBL3825138

COC1O[C@H](C(=O)O)[C@@H](O)[C@H](OCc2ccccc2)[C@H]1O

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LGALS8 O00214 2/20 0.50
LGALS3 P17931 5/20 0.46
SLC6A2 P23975 1/20 0.43
BCHE P06276 3/20 0.41
SSTR1 P30872 1/20 0.41
SSTR2 P30874 1/20 0.41
SSTR4 P31391 1/20 0.41
SSTR3 P32745 1/20 0.41
SSTR5 P35346 1/20 0.41
PDPK1 O15530 1/20 0.40
MTOR P42345 1/20 0.40
LGALS9 O00182 1/20 0.39
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
GRM2 Q14416 1/20 0.38
GRM3 Q14832 1/20 0.38

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
SCHEMBL3827358 1.00 LGALS8 (0.50) LGALS8LGALS3SLC6A2BCHESSTR1
SCHEMBL7460671 0.92 BCHE (0.46) LGALS8LGALS3SLC6A2BCHESSTR1
SCHEMBL7152123 0.85 PDPK1 (0.43) SLC6A2BCHEPDPK1MTORPTPN2
SCHEMBL3830803 0.84 PDPK1 (0.40) LGALS8LGALS3SLC6A2BCHESSTR1
SCHEMBL18825279 0.84 BCHE (0.50) LGALS8BCHESSTR1SSTR2SSTR4
SCHEMBL31064991 0.84 BCHE (0.50) LGALS8BCHESSTR1SSTR2SSTR4
SCHEMBL18825292 0.84 BCHE (0.50) LGALS8BCHESSTR1SSTR2SSTR4
SCHEMBL23343940 0.84 LGALS8 (0.53) LGALS8LGALS3SLC6A2BCHESSTR1
SCHEMBL6513954 0.83 LGALS8 (0.43) LGALS8LGALS3SLC6A2BCHESSTR1
SCHEMBL22266752 0.82 LGALS8 (0.47) LGALS8LGALS3SLC6A2BCHESSTR1

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
EP-1353556-A4 SOLID- AND SOLUTION -PHASE SYNTHESIS OF HEPARIN AND OTHER GLYCOSAMINOGLYCANS MASSACHUSETTS INST TECHNOLOGY (US) 2009-09-09 EP disclosed
EP-1809603-A4 NITROBENZINDOLES AND THEIR USE IN CANCER THERAPY AUCKLAND UNISERVICES LTD (NZ) 2009-09-02 EP disclosed
EP-1809603-A1 NITROBENZINDOLES AND THEIR USE IN CANCER THERAPY Auckland Uniservices Limited (NZ) 2007-07-25 EP disclosed
WO-2006043839-A1 NITROBENZINDOLES AND THEIR USE IN CANCER THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2006-04-27 WO disclosed
US-6846917-B2 Solid- and solution-phase synthesis of heparin and other glycosaminoglycans MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2005-01-25 US disclosed
EP-1353556-A2 SOLID- AND SOLUTION -PHASE SYNTHESIS OF HEPARIN AND OTHER GLYCOSAMINOGLYCANS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2003-10-22 EP disclosed
US-20030013862-A1 Solid- and solution-phase synthesis of heparin and other glycosaminoglycans NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-01-16 US disclosed
WO-2002058633-A2 SOLID- AND SOLUTION -PHASE SYNTHESIS OF HEPARIN AND OTHER GLYCOSAMINOGLYCANS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2002-08-01 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-20030013862-A1 Solid- and solution-phase synthesis of heparin and other glycosaminoglycans HPSE, TLR3, HDGF LGALS8 584/4885LGALS3 824/4885SLC6A2 2850/4885

“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.