SCHEMBL14015896

SCHEMBL14015896

O=C(Nc1cc(C(=O)Nc2ccc(S(=O)(=O)O)cc2SOOO)cc(C(=O)Nc2ccc(SOOO)cc2S(=O)(=O)O)c1)Nc1cc(C(=O)Nc2ccc(S(=O)(=O)O)cc2SOOO)cc(C(=O)Nc2ccc(S(=O)(=O)O)cc2S(=O)(=O)O)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TIMP3 P35625 6/20 0.67
RECQL P46063 6/20 0.50
KMT2A Q03164 6/20 0.50
HSD17B10 Q99714 6/20 0.50
TDP1 Q9NUW8 6/20 0.50
MAPT P10636 5/20 0.50
PKM P14618 5/20 0.50
P2RX1 P51575 5/20 0.50
MEN1 O00255 4/20 0.50
LMNA P02545 4/20 0.50
POLB P06746 4/20 0.50
CYP3A4 P08684 4/20 0.50
NFKB1 P19838 4/20 0.50
APEX1 P27695 4/20 0.50
BLM P54132 4/20 0.50
CYP1A2 P05177 3/20 0.50
BRCA1 P38398 3/20 0.50
STAT1 P42224 3/20 0.50
STAT5A P42229 3/20 0.50
STAT5B P51692 3/20 0.50

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
SCHEMBL14506109 1.00 TIMP3 (0.67) TIMP3RECQLKMT2AHSD17B10TDP1
SCHEMBL1902159 0.82 TIMP3 (1.00) TIMP3RECQLKMT2AHSD17B10TDP1
SCHEMBL12410284 0.76 TIMP3 (0.86) TIMP3RECQLKMT2AHSD17B10TDP1
SCHEMBL21645072 0.75 RECQL (0.86) TIMP3RECQLKMT2AHSD17B10TDP1
SCHEMBL14506111 0.74 TIMP3 (0.67) TIMP3RECQLKMT2AHSD17B10TDP1
SCHEMBL14081252 0.71 TIMP3 (0.47) TIMP3RECQLKMT2AHSD17B10TDP1
SCHEMBL14506107 0.71 RECQL (0.74) TIMP3RECQLKMT2AHSD17B10TDP1
SCHEMBL12903191 0.71 TIMP3 (0.72) TIMP3RECQLKMT2AHSD17B10TDP1
SCHEMBL12410283 0.71 TIMP3 (0.75) TIMP3RECQLKMT2AHSD17B10TDP1
SCHEMBL16921052 0.71 TIMP3 (0.75) TIMP3RECQLKMT2AHSD17B10TDP1

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 2 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-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

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 TIMP3 838/4885RECQL 4093/4885KMT2A 4414/4885

“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.