SCHEMBL12419331

SCHEMBL12419331

COC(=O)c1cc(C(=O)c2cc(Cl)c(OC)c(C(=O)OC)c2)cc(Cl)c1OC

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GALK1 P51570 1/20 0.59
ALDH1A1 P00352 5/20 0.51
KDM4E B2RXH2 4/20 0.51
GAA P10253 2/20 0.51
HPGD P15428 4/20 0.47
TPMT P51580 1/20 0.47
TAS1R3 Q7RTX0 3/20 0.44
TAS1R1 Q7RTX1 3/20 0.44
TAS1R2 Q8TE23 3/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
POLB P06746 1/20 0.42
RAB9A P51151 1/20 0.40

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
SCHEMBL15434927 0.87 GALK1 (0.52) GALK1ALDH1A1KDM4EGAAHPGD
SCHEMBL10339486 0.87 KDM4E (0.49) GALK1ALDH1A1KDM4EGAAHPGD
SCHEMBL28204712 0.85 GALK1 (0.59) GALK1ALDH1A1KDM4EGAAHPGD
SCHEMBL3041051 0.84 TPMT (0.57) GALK1ALDH1A1KDM4EGAAHPGD
SCHEMBL18393285 0.82 GALK1 (0.51) GALK1ALDH1A1KDM4EGAAHPGD
SCHEMBL24516637 0.81 GALK1 (0.50) GALK1ALDH1A1KDM4EGAAHPGD
SCHEMBL4879449 0.81 KDM4E (0.44) GALK1ALDH1A1KDM4EGAAHPGD
SCHEMBL2391150 0.80 ALDH1A1 (0.65) GALK1ALDH1A1KDM4EGAAHPGD
SCHEMBL6931738 0.79 TPMT (0.47) GALK1ALDH1A1KDM4EGAAHPGD
SCHEMBL6929610 0.79 HSD17B10 (0.49) GALK1ALDH1A1KDM4EHPGDTPMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2264043-B1 Heterobifunctional pan-selectin inhibitors GLYCOMIMETICS INC (US) 2017-11-08 EP disclosed
US-20160361332-A1 HETEROBIFUNCTIONAL PAN-SELECTIN INHIBITORS GLYCOMIMETICS INC (US) 2016-12-15 US disclosed
US-20140178303-A1 HETEROBIFUNCTIONAL PAN-SELECTIN INHIBITORS GLYCOMIMETICS, INC. (US) 2014-06-26 US disclosed
EP-1934236-B1 HETEROBIFUNCTIONAL PAN-SELECTIN INHIBITORS GLYCOMIMETICS INC (US) 2012-11-21 EP disclosed
US-7989601-B2 Heterobifunctional pan-selectin inhibitors GLYCOMIMETICS, INC. (US) 2011-08-02 US disclosed
EP-2264043-A1 Heterobifunctional pan-selectin inhibitors GlycoMimetics, Inc. (US) 2010-12-22 EP 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-20090036386-A1 Heterobifunctional compounds for selectin inhibition GLYCOMIMETICS, INC (US) 2009-02-05 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 (5 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-20090036386-A1 Heterobifunctional compounds for selectin inhibition SELE, SELL, BSG GALK1 830/4885ALDH1A1 592/4885KDM4E 4591/4885
US-20160361332-A1 HETEROBIFUNCTIONAL PAN-SELECTIN INHIBITORS SELE, SELP, BSG GALK1 910/4885ALDH1A1 679/4885KDM4E 4593/4885
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 GALK1 1928/4885ALDH1A1 1896/4885KDM4E 4754/4885
US-20100204170-A1 HETEROBIFUNCTIONAL PAN-SELECTIN INHIBITORS SELE, SELP, BSG GALK1 910/4885ALDH1A1 679/4885KDM4E 4593/4885
US-20140178303-A1 HETEROBIFUNCTIONAL PAN-SELECTIN INHIBITORS SELE, SELP, BSG GALK1 910/4885ALDH1A1 679/4885KDM4E 4593/4885

“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.