SCHEMBL4665608

SCHEMBL4665608

O=C(O)CN1CCN(C(=O)CCc2cc(O)c(O)c(O)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
NPC1 O15118 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
SIGMAR1 Q99720 2/20 0.43
ME2 P23368 1/20 0.43
ME1 P48163 1/20 0.43
ME3 Q16798 1/20 0.43
KMT2A Q03164 2/20 0.42
APP P05067 1/20 0.41
FKBP1A P62942 1/20 0.41
PCNA P12004 1/20 0.41
MEN1 O00255 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 1/20 0.41
NAAA Q02083 1/20 0.40
CACNA1F O60840 1/20 0.40
HTR1A P08908 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
DRD4 P21917 1/20 0.40
DRD5 P21918 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
SCHEMBL1617330 0.78 KDM4E (0.63) TSHRKMT2AMEN1POLB
SCHEMBL9643768 0.76 GAA (0.50) TSHRTDP1KMT2AMEN1HTR1A
SCHEMBL490873 0.72 KEAP1 (0.52) TDP1PCNAPOLBSELLSELP
SCHEMBL9346942 0.70 MEN1 (0.57) TSHRNPC1TDP1ME2ME1
SCHEMBL7127595 0.70 GAA (0.64) TSHRTDP1
SCHEMBL10070848 0.70 L3MBTL1 (0.44) TSHRTDP1KMT2AMEN1L3MBTL1
SCHEMBL10963429 0.69 KMT2A (0.69) TDP1KMT2AMEN1
SCHEMBL7131839 0.68 NPC1 (0.86) TSHRNPC1TDP1SIGMAR1ME2
SCHEMBL27650122 0.67 GAA (0.48) TSHRTDP1KMT2AMEN1
SCHEMBL9819732 0.67 TSHR (0.71) TSHRNPC1TDP1SIGMAR1ME2

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 TSHR 166/4885NPC1 592/4885TDP1 3103/4885

“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.