SCHEMBL12419338

SCHEMBL12419338

O=C(OCC1OC(OC2CC=CC(NC(=O)c3cc(O)nc(O)n3)C2O)C(OC(=O)c2ccccc2)C(O[C@@H](CC2CCCCC2)C(=O)O)C1OC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SELE P16581 8/20 0.41
▸ SELP P16109 7/20 0.34
▸ PTPN1 P18031 2/20 0.32
▸ USP2 O75604 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ PTPN2 P17706 1/20 0.31
▸ PTPN11 Q06124 1/20 0.31
▸ TMPRSS2 O15393 1/20 0.31
▸ PDE5A O76074 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ HMGCR P04035 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ LCK P06239 1/20 0.31
▸ FYN P06241 1/20 0.31
▸ HSPD1 P10809 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CA6 P23280 1/20 0.31

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
SCHEMBL13657364 0.87 SELE (0.47) SELESELP
SCHEMBL3006760 0.82 SELE (0.57) SELESELP
SCHEMBL14823278 0.81 SELE (0.53) SELESELP
SCHEMBL13312082 0.81 SELE (0.62) SELESELP
SCHEMBL16257616 0.81 SELE (0.58) SELESELP
SCHEMBL12240501 0.80 SELE (0.46) SELESELP
SCHEMBL13312768 0.80 SELE (0.48) SELESELPPTPN1
SCHEMBL15434743 0.80 SELE (0.40) SELESELPPTPN1
SCHEMBL13657365 0.80 SELE (0.56) SELESELP
SCHEMBL13657359 0.79 SELE (0.43) SELESELP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989601-B2 Heterobifunctional pan-selectin inhibitors GLYCOMIMETICS, INC. (US) 2011-08-02 — — US disclosed
US-20100204170-A1 HETEROBIFUNCTIONAL PAN-SELECTIN INHIBITORS GLYCOMIMETICS, INC. (US) 2010-08-12 — — US disclosed
US-7728117-B2 Heterobifunctional pan-selectin inhibitors GLYCOMIMETICS, INC. (US) 2010-06-01 — — US disclosed
US-20070054870-A1 glycomimetics; selectin binding modulators for use in treatment ofinflammatory, autoimmune, infection, cancer, shock, thrombosis, wounds, burns, reperfusion injury, blood, leukocyte-mediated lung injury, spinal cord damage, digestive tract mucous membrane disorders, osteoporosis, arthritis and asthma GLYCOMIMETICS, INC. (US) 2007-03-08 — — 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-20070054870-A1 glycomimetics; selectin binding modulators for use in treatment ofinflammatory, autoimmune, infection, cancer, shock, thrombosis, wounds, burns, reperfusion injury, blood, leukocyte-mediated lung injury, spinal cord damage, digestive tract mucous membrane disorders, osteoporosis, arthritis and asthma BSG, SELE, SELL SELE 2/4885SELP 6/4885PTPN1 2518/4885
US-20100204170-A1 HETEROBIFUNCTIONAL PAN-SELECTIN INHIBITORS SELE, SELP, BSG SELE 1/4885SELP 2/4885PTPN1 1612/4885

“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.

Send feedback