SCHEMBL4666929

SCHEMBL4666929

O=C(CCc1cc(O)c(O)c(O)c1)Nc1ccc(C(=O)O)cc1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SELP P16109 8/20 0.68
SELE P16581 7/20 0.68
SELL P14151 7/20 0.68
GAA P10253 2/20 0.55
MAPT P10636 2/20 0.51
HTT P42858 1/20 0.51
HDAC1 Q13547 2/20 0.50
TOP2A P11388 2/20 0.49
TOP2B Q02880 2/20 0.49
POLB P06746 1/20 0.49
NPY5R Q15761 1/20 0.49
TSHR P16473 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
HDAC3 O15379 1/20 0.46
HDAC2 Q92769 1/20 0.46
NCOR2 Q9Y618 1/20 0.46
TOP1 P11387 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
SCHEMBL13422091 0.85 MEN1 (0.59) SELPSELESELLMAPT
SCHEMBL10316412 0.85 SELP (0.70) SELPSELESELLGAAMAPT
SCHEMBL2003074 0.81 MAPT (0.77) GAAMAPTHTTHDAC1POLB
SCHEMBL14015957 0.81 SELP (1.00) SELPSELESELLHDAC1HDAC3
SCHEMBL4665176 0.80 SELP (0.65) SELPSELESELLGAAMAPT
SCHEMBL14015955 0.80 SELP (1.00) SELPSELESELL
SCHEMBL7566765 0.78 MAPT (0.77) GAAMAPTHTTHDAC1POLB
SCHEMBL10954256 0.78 MEN1 (0.59) GAAMAPTHTTHDAC1POLB
SCHEMBL10953379 0.78 HDAC1 (0.62) GAAMAPTHTTHDAC1POLB
SCHEMBL27160281 0.78 NPY5R (0.77) GAAMAPTHTTHDAC1NPY5R

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.