SCHEMBL3343532

SCHEMBL3343532

Cc1cc(C#N)c2nc(-c3nc(-c4cc(F)c(CCC(=O)OC(C)(C)C)cc4Cl)no3)cn2c1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.34
S1PR1 P21453 8/20 0.34
S1PR5 Q9H228 4/20 0.33
S1PR3 Q99500 3/20 0.33
CNR1 P21554 1/20 0.32

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
SCHEMBL2506268 0.89 S1PR1 (0.38) CNR2S1PR1S1PR5S1PR3
SCHEMBL13330767 0.85 S1PR1 (0.34) CNR2S1PR1S1PR5CNR1
SCHEMBL3342731 0.84 CNR2 (0.33) CNR2S1PR1S1PR5CNR1
SCHEMBL13330803 0.83 CNR2 (0.33) CNR2S1PR1CNR1
SCHEMBL13303833 0.83 SMN1; SMN2 (0.39) CNR2S1PR1CNR1
SCHEMBL3342478 0.83 S1PR1 (0.37) CNR2S1PR1S1PR5S1PR3CNR1
SCHEMBL3340738 0.81 S1PR1 (0.37) CNR2S1PR1S1PR5S1PR3CNR1
SCHEMBL3338104 0.79 S1PR1 (0.38) S1PR1S1PR5S1PR3
SCHEMBL3340282 0.77 S1PR1 (0.38) S1PR1S1PR5S1PR3
SCHEMBL3345636 0.77 SMN1; SMN2 (0.40) CNR2S1PR1S1PR5S1PR3CNR1

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-20100160369-A1 S1P1 Agonists and Methods of Making And Using EXELIXIS, INC. (US) 2010-06-24 US disclosed
US-20100160369-A1 S1P1 Agonists and Methods of Making And Using EXELIXIS, INC. (US) 2010-06-24 US disclosed
US-20100160369-A1 S1P1 Agonists and Methods of Making And Using EXELIXIS, INC. (US) 2010-06-24 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-20100160369-A1 S1P1 Agonists and Methods of Making And Using S1PR1, S1PR5, S1PR3 CNR2 35/4885S1PR1 1/4885S1PR5 2/4885

“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.