SCHEMBL10148622

SCHEMBL10148622

CCC1O[C@H](C)C(OC(=O)c2ccccc2)[C@H](OCc2ccccc2)[C@@H]1O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LGALS9 O00182 4/20 0.46
LGALS1 P09382 4/20 0.46
LGALS3 P17931 4/20 0.46
LGALS7; LGALS7B P47929 3/20 0.46
NT5E P21589 1/20 0.42
SLC6A2 P23975 2/20 0.40
SLC6A3 Q01959 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TACR2 P21452 3/20 0.39
SELP P16109 6/20 0.39
PTPN1 P18031 2/20 0.39
LGALS8 O00214 3/20 0.39
SELE P16581 2/20 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
SCHEMBL11981213 1.00 LGALS9 (0.46) LGALS9LGALS1LGALS3LGALS7; LGALS7BNT5E
SCHEMBL13707194 1.00 LGALS9 (0.46) LGALS9LGALS1LGALS3LGALS7; LGALS7BNT5E
SCHEMBL10148626 0.91 LGALS3 (0.58) LGALS9LGALS1LGALS3LGALS7; LGALS7BNT5E
SCHEMBL13855490 0.91 LGALS3 (0.58) LGALS9LGALS1LGALS3LGALS7; LGALS7BNT5E
SCHEMBL10148629 0.90 NT5E (0.43) LGALS9LGALS1LGALS3LGALS7; LGALS7BNT5E
SCHEMBL13707193 0.87 LGALS9 (0.43) LGALS9LGALS1LGALS3LGALS7; LGALS7BNT5E
SCHEMBL19891729 0.82 NT5E (0.59) NT5ETACR2PTPN1
SCHEMBL19891576 0.82 NT5E (0.59) NT5ETACR2PTPN1
SCHEMBL19891528 0.82 NT5E (0.59) NT5ETACR2PTPN1
SCHEMBL13855489 0.81 NT5E (0.44) LGALS9LGALS1LGALS3LGALS7; LGALS7BNT5E

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-9243018-B2 Synthetic heparin pentasaccharides DR. REDDY'S LABORATORIES, SA (CH) 2016-01-26 US disclosed
US-20150005485-A1 SYNTHETIC HEPARIN PENTASACCHARIDES ALCHEMIA LIMITED (AU) 2015-01-01 US disclosed
US-8404833-B2 Synthetic heparin disaccharides ALCHEMIA LIMITED (AU) 2013-03-26 US disclosed
US-20120220759-A1 SYNTHETIC HEPARIN DISACCHARIDES ALCHEMIA LIMITED (AU) 2012-08-30 US disclosed
US-20120208993-A1 SYNTHETIC HEPARIN TRISACCHARIDES ALCHEMIA LIMITED (AU) 2012-08-16 US disclosed
US-8114970-B2 Synthetic heparin monosaccharides ALCHEMIA LIMITED (AU) 2012-02-14 US disclosed
US-20090187013-A1 SYNTHETIC HEPARIN PENTASACCHARIDES ALCHEMIA LIMITED (AU) 2009-07-23 US disclosed
US-7541445-B2 Synthetic heparin pentasaccharides ALCHEMIA LIMITED (AU) 2009-06-02 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-20090187013-A1 SYNTHETIC HEPARIN PENTASACCHARIDES HPSE, DDOST, STT3A LGALS9 514/4885LGALS1 586/4885LGALS3 454/4885
US-20120220759-A1 SYNTHETIC HEPARIN DISACCHARIDES HPSE, DDOST, STT3A LGALS9 550/4885LGALS1 621/4885LGALS3 447/4885
US-20150005485-A1 SYNTHETIC HEPARIN PENTASACCHARIDES HPSE, DDOST, STT3A LGALS9 639/4885LGALS1 645/4885LGALS3 574/4885
US-20120208993-A1 SYNTHETIC HEPARIN TRISACCHARIDES HPSE, SERPINC1, DDOST LGALS9 1146/4885LGALS1 998/4885LGALS3 730/4885

“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.