SCHEMBL1313635

SCHEMBL1313635

CCCCCCCc1ccc(-c2noc(CO)n2)cc1

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 12/20 0.71
SPHK2 Q9NRA0 11/20 0.61
NOTUM Q6P988 2/20 0.56
S1PR1 P21453 2/20 0.55
S1PR2 O95136 1/20 0.55
S1PR3 Q99500 1/20 0.55
LPAR2 Q9HBW0 1/20 0.55
NPC1 O15118 1/20 0.54
ALDH1A1 P00352 1/20 0.54
MAPT P10636 1/20 0.54
NFKB1 P19838 1/20 0.54
RAB9A P51151 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54

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
SCHEMBL1311624 0.89 SPHK1 (0.64) SPHK1SPHK2S1PR1S1PR2S1PR3
SCHEMBL19033023 0.89 SPHK2 (0.71) SPHK1SPHK2S1PR1S1PR2S1PR3
SCHEMBL96938 0.88 NOTUM (0.62) SPHK1SPHK2NOTUMS1PR1S1PR3
SCHEMBL26887338 0.86 SPHK1 (0.71) SPHK1SPHK2NOTUMS1PR1NPC1
SCHEMBL15176192 0.86 SPHK1 (0.71) SPHK1SPHK2NOTUMS1PR1NPC1
SCHEMBL1312625 0.86 SPHK1 (0.71) SPHK1SPHK2NOTUMS1PR1NPC1
SCHEMBL3264894 0.86 SPHK1 (0.67) SPHK1SPHK2S1PR1S1PR2S1PR3
SCHEMBL26887329 0.85 SPHK1 (0.70) SPHK1SPHK2S1PR1S1PR2S1PR3
SCHEMBL26887339 0.84 SPHK1 (0.65) SPHK1SPHK2S1PR1S1PR2S1PR3
SCHEMBL26887336 0.84 SPHK1 (0.68) SPHK1SPHK2S1PR1S1PR2S1PR3

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 4 patents. 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
US-20110275673-A1 INHIBITORS OF SPHINGOSINE KINASE 1 GENZYME CORPORATION 2011-11-10 US disclosed
US-20110275673-A1 INHIBITORS OF SPHINGOSINE KINASE 1 GENZYME CORPORATION 2011-11-10 US disclosed
WO-2010033701-A2 INHIBITORS OF SPHINGOSINE KINASE 1 GENZYME CORPORATION (US) 2010-03-25 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-20110275673-A1 INHIBITORS OF SPHINGOSINE KINASE 1 SPHK1, SPHK2, S1PR1 SPHK1 1/4885SPHK2 2/4885NOTUM 953/4885

“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.