SCHEMBL167126

SCHEMBL167126

OC[C@H]1OC(OC2CCCCC2)[C@H](O)[C@@H](O)[C@H]1O

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.56
SYNJ2 O15056 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
GJA1 P17302 1/20 0.45
GJB2 P29033 1/20 0.45
CYP2C9 P11712 1/20 0.45
TSHR P16473 1/20 0.45
ALDH1A1 P00352 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
SELE P16581 1/20 0.44
GAA P10253 1/20 0.43
TYR P14679 1/20 0.43

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
SCHEMBL1727956 1.00 PTPN1 (0.56) PTPN1SYNJ2MEN1KMT2AGJA1
SCHEMBL16788268 1.00 PTPN1 (0.56) PTPN1SYNJ2MEN1KMT2AGJA1
SCHEMBL18872330 1.00 PTPN1 (0.56) PTPN1SYNJ2MEN1KMT2AGJA1
SCHEMBL27345634 1.00 PTPN1 (0.56) PTPN1SYNJ2MEN1KMT2AGJA1
SCHEMBL20306175 1.00 PTPN1 (0.56) PTPN1SYNJ2MEN1KMT2AGJA1
SCHEMBL7688096 0.98 PTPN1 (0.57) PTPN1SYNJ2MEN1KMT2AGJA1
SCHEMBL20097839 0.98 PTPN1 (0.57) PTPN1SYNJ2MEN1KMT2AGJA1
SCHEMBL11288598 0.98 PTPN1 (0.57) PTPN1SYNJ2MEN1KMT2AGJA1
SCHEMBL21012995 0.95 PTPN1 (0.57) PTPN1SYNJ2MEN1KMT2AGJA1
SCHEMBL19840460 0.86 PTPN1 (0.56) PTPN1SYNJ2MEN1KMT2AGJA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2424873-B1 NOVEL GALACTOSIDE INHIBITORS OF GALECTINS GALECTO BIOTECH AB (SE) 2017-11-15 EP disclosed
WO-2016004093-A2 THERAPEUTIC COMPOSITIONS INCLUDING GALECTIN-3 INHIBITORS AND USES THEREOF STEALTH BIOTHERAPEUTICS CORP (MC) 2016-01-07 WO disclosed
US-20140200190-A1 NOVEL GALACTOSIDE INHIBITORS OF GALECTINS GALECTO BIOTECH AB (SE) 2014-07-17 US disclosed
US-8703720-B2 Galactoside inhibitors of galectins GALECTO BIOTECH AB (SE) 2014-04-22 US disclosed
US-20120165277-A1 NOVEL GALACTOSIDE INHIBITORS OF GALECTINS FORSKARPATENT I SYD AB (SE) 2012-06-28 US disclosed
EP-2424873-A1 NOVEL GALACTOSIDE INHIBITORS OF GALECTINS Forskarpatent I SYD AB (SE) 2012-03-07 EP disclosed
WO-2010126435-A1 NOVEL GALACTOSIDE INHIBITORS OF GALECTINS FORSKARPATENT I SYD AB (SE) 2010-11-04 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 (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-20120165277-A1 NOVEL GALACTOSIDE INHIBITORS OF GALECTINS LGALS1, LGALS3, LGALS2 PTPN1 1149/4885SYNJ2 2880/4885MEN1 3588/4885
US-20140200190-A1 NOVEL GALACTOSIDE INHIBITORS OF GALECTINS LGALS1, LGALS3, LGALS2 PTPN1 1075/4885SYNJ2 2939/4885MEN1 3666/4885

“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.