SCHEMBL2602109

SCHEMBL2602109

CC(C)Oc1ccc(-c2nc(-c3ccc4c(c3)CCN(C(C)(C)C(=O)O)CC4)no2)cc1C#N

nearest known ligand 0.77

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.77
S1PR3 Q99500 9/20 0.77
KCNH2 Q12809 2/20 0.71
S1PR5 Q9H228 1/20 0.56

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
Trifluoroacetic Acid SCHEMBL2124819 0.97 S1PR1 (0.72) S1PR1S1PR3KCNH2S1PR5
SCHEMBL2123081 0.91 S1PR1 (0.71) S1PR1S1PR3KCNH2S1PR5
SCHEMBL2122809 0.89 S1PR1 (0.70) S1PR1S1PR3KCNH2S1PR5
SCHEMBL2124823 0.89 S1PR1 (0.68) S1PR1S1PR3KCNH2S1PR5
SCHEMBL2122370 0.88 S1PR1 (0.81) S1PR1S1PR3KCNH2S1PR5
SCHEMBL2123917 0.88 S1PR1 (0.73) S1PR1S1PR3KCNH2S1PR5
SCHEMBL2143165 0.88 S1PR1 (0.70) S1PR1S1PR3KCNH2S1PR5
SCHEMBL2130165 0.88 S1PR1 (0.68) S1PR1S1PR3KCNH2S1PR5
SCHEMBL2122781 0.87 S1PR1 (0.78) S1PR1S1PR3KCNH2S1PR5
Hydrochloric Acid SCHEMBL2133294 0.87 S1PR1 (0.68) S1PR1S1PR3KCNH2S1PR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120101083-A1 S1P1 AGONISTS COMPRISING A BICYCLIC N-CONTAINING RING GLAXO GROUP LIMITED (GB) 2012-04-26 US disclosed
US-20120101083-A1 S1P1 AGONISTS COMPRISING A BICYCLIC N-CONTAINING RING GLAXO GROUP LIMITED (GB) 2012-04-26 US disclosed
WO-2010146105-A1 S1P1 AGONISTS COMPRISING A BICYCLIC N-CONTAINING RING GLAXO GROUP LIMITED (GB) 2010-12-23 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-20120101083-A1 S1P1 AGONISTS COMPRISING A BICYCLIC N-CONTAINING RING S1PR1, S1PR2, S1PR3 S1PR1 1/4885S1PR3 3/4885KCNH2 984/4885

“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.