SCHEMBL1312795

SCHEMBL1312795

CCCCc1ccc(-c2nc(-c3ccc(CN4CCC[C@@H]4O)cc3)no2)cc1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 4/20 0.60
S1PR5 Q9H228 3/20 0.60
S1PR4 O95977 2/20 0.60
NPC1 O15118 1/20 0.57
ALDH1A1 P00352 1/20 0.57
MAPT P10636 1/20 0.57
NFKB1 P19838 1/20 0.57
RAB9A P51151 1/20 0.57
NFKB2 Q00653 1/20 0.57
RELA Q04206 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
S1PR3 Q99500 1/20 0.52
SPHK2 Q9NRA0 14/20 0.49
SPHK1 Q9NYA1 11/20 0.49

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
SCHEMBL19968731 0.76 S1PR1 (0.75) S1PR1S1PR5S1PR4NPC1ALDH1A1
SCHEMBL4744048 0.75 S1PR1 (1.00) S1PR1S1PR5S1PR4S1PR3
SCHEMBL1312648 0.74 S1PR1 (0.67) S1PR1S1PR5S1PR4S1PR3
SCHEMBL13416798 0.73 NPC1 (1.00) S1PR1S1PR5S1PR4NPC1ALDH1A1
SCHEMBL1312932 0.73 S1PR1 (0.75) S1PR1S1PR5S1PR4NPC1ALDH1A1
SCHEMBL13271363 0.71 S1PR1 (1.00) S1PR1S1PR5S1PR4S1PR3
SCHEMBL4742220 0.70 S1PR1 (0.70) S1PR1S1PR5S1PR4NPC1ALDH1A1
SCHEMBL13417167 0.69 NPC1 (0.90) S1PR1S1PR5NPC1ALDH1A1MAPT
SCHEMBL1312187 0.68 SPHK1 (0.77) SPHK1
SCHEMBL13271364 0.68 S1PR1 (1.00) S1PR1S1PR5S1PR4S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110275673-A1 INHIBITORS OF SPHINGOSINE KINASE 1 GENZYME CORPORATION 2011-11-10 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-20110275673-A1 INHIBITORS OF SPHINGOSINE KINASE 1 SPHK1, SPHK2, S1PR1 S1PR1 3/4885S1PR5 6/4885S1PR4 8/4885

“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.