SCHEMBL3310070

SCHEMBL3310070

CCOC(=O)CCCn1ncc2c(-c3noc(-c4ccc(N5CCCCC5)c(CC)c4)n3)cccc21

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 13/20 0.48
CYP2C9 P11712 1/20 0.48
S1PR3 Q99500 4/20 0.39
RXFP1 Q9HBX9 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL1398454 0.91 S1PR1 (0.50) S1PR1CYP2C9S1PR3
SCHEMBL1398651 0.86 S1PR1 (0.46) S1PR1CYP2C9S1PR3
SCHEMBL13361428 0.86 S1PR1 (0.44) S1PR1CYP2C9S1PR3RXFP1POLB
SCHEMBL402115 0.84 S1PR1 (0.51) S1PR1S1PR3RXFP1POLB
SCHEMBL1398648 0.84 S1PR1 (0.46) S1PR1CYP2C9S1PR3
SCHEMBL1398559 0.82 S1PR1 (0.48) S1PR1S1PR3RXFP1POLB
SCHEMBL3310448 0.80 S1PR1 (0.48) S1PR1CYP2C9S1PR3
SCHEMBL1398520 0.79 S1PR1 (0.76) S1PR1CYP2C9S1PR3
SCHEMBL3311215 0.78 S1PR1 (0.60) S1PR1CYP2C9S1PR3
SCHEMBL1398479 0.77 S1PR1 (0.61) S1PR1CYP2C9S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324254-B2 Oxadiazole substituted indazole derivatives for use as sphingosine 1-phosphate (S1P) agonists GLAXO GROUP LIMITED (GB) 2012-12-04 US disclosed
US-8324254-B2 Oxadiazole substituted indazole derivatives for use as sphingosine 1-phosphate (S1P) agonists GLAXO GROUP LIMITED (GB) 2012-12-04 US disclosed
US-20100113371-A9 Derivatives Of Pentose Monosaccharides As Anti-Inflammatory Compounds RANBAXY LABORATORIES LIMITED INC. (IN) 2010-05-06 US disclosed
US-20100113528-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE (S1P) AGONISTS GLAXO GROUP LIMITED 2010-05-06 US disclosed
US-20100113528-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE (S1P) AGONISTS GLAXO GROUP LIMITED 2010-05-06 US disclosed
US-20090075909-A1 Derivatives Of Pentose Monosaccharides As Anti-Inflammatory Compounds RANBAXY LABORATORIES LIMITED INC. (IN) 2009-03-19 US disclosed
WO-2008128951-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE (S1P) AGONISTS GLAXO GROUP LIMITED (GB) 2008-10-30 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 (3 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-20090075909-A1 Derivatives Of Pentose Monosaccharides As Anti-Inflammatory Compounds HLA-DRB1, IL5, TNF S1PR1 502/4885CYP2C9 3613/4885S1PR3 364/4885
US-20100113528-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE (S1P) AGONISTS S1PR1, S1PR3, S1PR2 S1PR1 1/4885CYP2C9 3130/4885S1PR3 2/4885
US-20100113371-A9 Derivatives Of Pentose Monosaccharides As Anti-Inflammatory Compounds HLA-DRB1, IL5, TNF S1PR1 502/4885CYP2C9 3613/4885S1PR3 364/4885

“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.