SCHEMBL2122019

SCHEMBL2122019

CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCN(C(=O)CCN(C(=O)O)C(C)(C)C)C4)no2)cc1C#N

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.68
S1PR3 Q99500 2/20 0.57
S1PR5 Q9H228 1/20 0.56
KCNH2 Q12809 1/20 0.53

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
SCHEMBL2121784 0.93 S1PR1 (0.69) S1PR1S1PR3S1PR5KCNH2
SCHEMBL2125053 0.92 S1PR1 (0.69) S1PR1S1PR3S1PR5KCNH2
SCHEMBL2123249 0.88 S1PR1 (0.68) S1PR1S1PR3S1PR5KCNH2
SCHEMBL2121679 0.88 S1PR1 (0.74) S1PR1S1PR3S1PR5KCNH2
Hydrochloric Acid SCHEMBL2123004 0.88 S1PR1 (0.73) S1PR1S1PR3S1PR5KCNH2
SCHEMBL2132942 0.87 S1PR1 (0.68) S1PR1S1PR3S1PR5KCNH2
SCHEMBL2128972 0.87 S1PR1 (0.68) S1PR1S1PR3S1PR5KCNH2
SCHEMBL3432563 0.86 S1PR1 (0.71) S1PR1S1PR3S1PR5KCNH2
SCHEMBL2122078 0.86 S1PR1 (0.75) S1PR1S1PR3S1PR5KCNH2
Hydrochloric Acid SCHEMBL2122007 0.85 S1PR1 (0.74) S1PR1S1PR3S1PR5KCNH2

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-20120101083-A1 S1P1 AGONISTS COMPRISING A BICYCLIC N-CONTAINING RING GLAXO GROUP LIMITED (GB) 2012-04-26 US disclosed
EP-2443110-A1 S1P1 AGONISTS COMPRISING A BICYCLIC N-CONTAINING RING Glaxo Group Limited (GB) 2012-04-25 EP 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 3/4885S1PR5 4/4885

“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.