SCHEMBL4665176

SCHEMBL4665176

O=C(CCc1cc(O)c(O)c(O)c1)Nc1cccc(Nc2cccc(C(=O)O)c2)c1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SELP P16109 6/20 0.65
SELE P16581 6/20 0.65
SELL P14151 4/20 0.65
MAPT P10636 3/20 0.57
GAA P10253 2/20 0.57
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
ALDH1A1 P00352 1/20 0.53
HPGD P15428 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.50
HTT P42858 2/20 0.50
LMNA P02545 1/20 0.48
MAPK14 Q16539 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TOP1 P11387 1/20 0.46
TOP2A P11388 1/20 0.46
TOP2B Q02880 1/20 0.46

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
SCHEMBL10316412 0.95 SELP (0.70) SELPSELESELLMAPTGAA
SCHEMBL14015942 0.82 SELP (0.71) SELPSELESELLNPC1RAB9A
SCHEMBL28745974 0.82 GAA (0.79) MAPTGAANPC1RAB9AALDH1A1
SCHEMBL28723981 0.81 GAA (0.64) SELPSELESELLMAPTGAA
SCHEMBL29601047 0.81 GAA (0.64) SELPSELESELLMAPTGAA
SCHEMBL4666929 0.80 SELP (0.68) SELPSELESELLMAPTGAA
SCHEMBL14015949 0.79 SELP (1.00) SELPSELESELLMAPTGAA
SCHEMBL14015952 0.78 SMN1; SMN2 (0.52) SELPSELESELLMAPTGAA
SCHEMBL12553404 0.77 SMN1; SMN2 (0.54) MAPTGAANPC1RAB9AALDH1A1
SCHEMBL7230749 0.77 SMN1; SMN2 (0.57) MAPTGAANPC1RAB9AALDH1A1

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
US-8367677-B2 Comprising trihydroxy phenyl subunits; selectin inhibitors; side effect reduction; 3-{3-[3-(3,4,5-Trihydroxy-phenyl)-propionylamino]-phenylamino}-benzoic acid REVOTAR BIOPHARMACEUTICALS AG (DE) 2013-02-05 US disclosed
US-8367677-B2 Comprising trihydroxy phenyl subunits; selectin inhibitors; side effect reduction; 3-{3-[3-(3,4,5-Trihydroxy-phenyl)-propionylamino]-phenylamino}-benzoic acid REVOTAR BIOPHARMACEUTICALS AG (DE) 2013-02-05 US disclosed
US-8367677-B2 Comprising trihydroxy phenyl subunits; selectin inhibitors; side effect reduction; 3-{3-[3-(3,4,5-Trihydroxy-phenyl)-propionylamino]-phenylamino}-benzoic acid REVOTAR BIOPHARMACEUTICALS AG (DE) 2013-02-05 US disclosed
EP-1732882-B1 NON-GLYCOSYLATED/NON-GLYCOSIDIC/NON-PEPTIDIC SMALL MOLECULE PSGL-1 MIMETICS FOR THE TREATMENT OF INFLAMMATORY DISORDERS REVOTAR BIOPHARMACEUTICALS AG (DE) 2012-07-04 EP disclosed
EP-1732882-B1 NON-GLYCOSYLATED/NON-GLYCOSIDIC/NON-PEPTIDIC SMALL MOLECULE PSGL-1 MIMETICS FOR THE TREATMENT OF INFLAMMATORY DISORDERS REVOTAR BIOPHARMACEUTICALS AG (DE) 2012-07-04 EP disclosed
US-20080249107-A1 Non-Glycosylated/Non-Glycosidic/Non-Peptidic Small Molecule Psgl-1 Mimetics for the Treatment of Inflammatory Disorders REVOTAR BIOPHARMACEUTICALS AG (DE) 2008-10-09 US disclosed
US-20080249107-A1 Non-Glycosylated/Non-Glycosidic/Non-Peptidic Small Molecule Psgl-1 Mimetics for the Treatment of Inflammatory Disorders REVOTAR BIOPHARMACEUTICALS AG (DE) 2008-10-09 US disclosed
US-20080249107-A1 Non-Glycosylated/Non-Glycosidic/Non-Peptidic Small Molecule Psgl-1 Mimetics for the Treatment of Inflammatory Disorders REVOTAR BIOPHARMACEUTICALS AG (DE) 2008-10-09 US disclosed
EP-1732882-A1 NON-GLYCOSYLATED/NON-GLYCOSIDIC/NON-PEPTIDIC SMALL MOLECULE PSGL-1 MIMETICS FOR THE TREATMENT OF INFLAMMATORY DISORDERS Revotar Biopharmaceuticals AG (DE) 2006-12-20 EP disclosed
WO-2005090284-A1 NON-GLYCOSYLATED/NON-GLYCOSIDIC/NON-PEPTIDIC SMALL MOLECULE PSGL-1 MIMETICS FOR THE TREATMENT OF INFLAMMATORY DISORDERS REVOTAR BIOPHARMACEUTICALS AG (DE) 2005-09-29 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-20080249107-A1 Non-Glycosylated/Non-Glycosidic/Non-Peptidic Small Molecule Psgl-1 Mimetics for the Treatment of Inflammatory Disorders SELP, SELPLG, SELE SELP 1/4885SELE 3/4885SELL 5/4885

“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.