SCHEMBL1164084

SCHEMBL1164084

O=C(c1cccc2ccccc12)C(O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.63
NR4A2 P43354 1/20 0.63
NR4A3 Q92570 1/20 0.63
MMP3 P08254 1/20 0.57
HDAC8 Q9BY41 1/20 0.57
PTPN1 P18031 1/20 0.55
CDC25B P30305 1/20 0.55
PLK1 P53350 1/20 0.55
L3MBTL1 Q9Y468 2/20 0.48
PTK2B Q14289 1/20 0.48
POLB P06746 4/20 0.47
KMT2A Q03164 4/20 0.47
ALDH1A1 P00352 4/20 0.47
MAPT P10636 4/20 0.47
HPGD P15428 4/20 0.47
MEN1 O00255 3/20 0.47
LMNA P02545 3/20 0.47
NPSR1 Q6W5P4 3/20 0.47
TDP1 Q9NUW8 3/20 0.47
CNR2 P34972 2/20 0.47

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
SCHEMBL10847418 0.91 NR4A1 (0.53) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL2599103 0.83 NR4A1 (0.59) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL2599098 0.83 NR4A1 (0.59) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL8765929 0.82 NR4A1 (0.57) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL5716814 0.81 NR4A1 (0.61) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL32665708 0.81 NR4A1 (0.61) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL28567510 0.81 NR4A1 (0.61) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL10350928 0.80 PLK1 (0.58) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL6837113 0.80 NR4A1 (0.55) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL4828437 0.80 NR4A1 (0.55) NR4A1NR4A2NR4A3MMP3HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4613611-A HYPOGLYCEMIC AGENTS AMERICAN CYANAMID COMPANY (US) 1986-09-23 US claimed
US-20120190694-A1 SELECTIVE SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS ALLERGAN, INC. (US) 2012-07-26 US disclosed
US-20120190694-A1 SELECTIVE SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS ALLERGAN, INC. (US) 2012-07-26 US disclosed
US-20120190694-A1 SELECTIVE SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS ALLERGAN, INC. (US) 2012-07-26 US disclosed
EP-2464629-A1 SELECTIVE SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS Allergan, Inc. (US) 2012-06-20 EP disclosed
US-8168795-B2 Selective sphingosine-1-phosphate receptor antagonists ALLERGAN, INC. (US) 2012-05-01 US disclosed
US-8168795-B2 Selective sphingosine-1-phosphate receptor antagonists ALLERGAN, INC. (US) 2012-05-01 US disclosed
US-8168795-B2 Selective sphingosine-1-phosphate receptor antagonists ALLERGAN, INC. (US) 2012-05-01 US disclosed
WO-2011028927-A1 SELECTIVE SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS ALLERGAN, INC. (US) 2011-03-10 WO disclosed
WO-2011028927-A1 SELECTIVE SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS ALLERGAN, INC. (US) 2011-03-10 WO disclosed
WO-2011019681-A1 SELECTIVE SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS ALLERGAN, INC. (US) 2011-02-17 WO disclosed
WO-2011019681-A1 SELECTIVE SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS ALLERGAN, INC. (US) 2011-02-17 WO disclosed
US-20110039866-A1 SELECTIVE SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS ALLERGAN, INC. (US) 2011-02-17 US disclosed
US-20110039866-A1 SELECTIVE SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS ALLERGAN, INC. (US) 2011-02-17 US disclosed
US-20110039866-A1 SELECTIVE SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS ALLERGAN, INC. (US) 2011-02-17 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 (2 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-20120190694-A1 SELECTIVE SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS S1PR3, S1PR1, S1PR2 NR4A1 1492/4885NR4A2 1095/4885NR4A3 590/4885
US-20110039866-A1 SELECTIVE SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS S1PR3, S1PR1, S1PR2 NR4A1 1492/4885NR4A2 1095/4885NR4A3 590/4885

“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.