SCHEMBL1312381

SCHEMBL1312381

CCCCCCCCc1ccc(CNC(=O)C(N)CCO)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SPHK1 Q9NYA1 13/20 1.00
▸ SPHK2 Q9NRA0 1/20 0.73
▸ S1PR1 P21453 7/20 0.54
▸ S1PR3 Q99500 6/20 0.54
▸ S1PR2 O95136 4/20 0.54
▸ S1PR4 O95977 4/20 0.54
▸ S1PR5 Q9H228 3/20 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
SCHEMBL1312379 1.00 SPHK1 (1.00) SPHK1SPHK2S1PR1S1PR3S1PR2
SCHEMBL1311702 0.84 SPHK1 (1.00) SPHK1SPHK2S1PR1S1PR3S1PR2
SCHEMBL1312879 0.84 SPHK1 (1.00) SPHK1SPHK2S1PR1S1PR3S1PR2
SCHEMBL1311703 0.84 SPHK1 (1.00) SPHK1SPHK2S1PR1S1PR3S1PR2
SCHEMBL1312010 0.81 SPHK1 (0.67) SPHK1SPHK2S1PR1S1PR3S1PR2
SCHEMBL1312007 0.81 SPHK1 (0.67) SPHK1SPHK2S1PR1S1PR3S1PR2
SCHEMBL13609207 0.79 SPHK1 (0.65) SPHK1S1PR1S1PR3S1PR2S1PR4
SCHEMBL1388424 0.78 SPHK1 (0.64) SPHK1SPHK2
SCHEMBL17531100 0.78 SPHK1 (0.64) SPHK1
SCHEMBL18952189 0.77 SPHK1 (0.62) SPHK1

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-20110275673-A1 INHIBITORS OF SPHINGOSINE KINASE 1 GENZYME CORPORATION 2011-11-10 — — US claimed
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 SPHK1 1/4885SPHK2 2/4885S1PR1 3/4885

“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.

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