SCHEMBL1313025

SCHEMBL1313025

CCCCCCCCCCCCc1ccc(NC(=O)[C@@H](N)[C@@H](C)O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SPHK1 Q9NYA1 13/20 1.00
▸ SPHK2 Q9NRA0 1/20 0.67
▸ S1PR1 P21453 5/20 0.61
▸ S1PR3 Q99500 5/20 0.61
▸ S1PR4 O95977 4/20 0.61
▸ S1PR5 Q9H228 4/20 0.61
▸ S1PR2 O95136 1/20 0.61
▸ THRA P10827 1/20 0.56
▸ THRB P10828 1/20 0.56

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
SCHEMBL1312702 1.00 SPHK1 (1.00) SPHK1SPHK2S1PR1S1PR3S1PR4
SCHEMBL1312405 1.00 SPHK1 (1.00) SPHK1SPHK2S1PR1S1PR3S1PR4
SCHEMBL1312087 1.00 SPHK1 (1.00) SPHK1SPHK2S1PR1S1PR3S1PR4
SCHEMBL1312105 1.00 SPHK1 (1.00) SPHK1SPHK2S1PR1S1PR3S1PR4
SCHEMBL1311924 1.00 SPHK1 (1.00) SPHK1SPHK2S1PR1S1PR3S1PR4
SCHEMBL1313045 1.00 SPHK1 (1.00) SPHK1SPHK2S1PR1S1PR3S1PR4
SCHEMBL1313131 1.00 SPHK1 (1.00) SPHK1SPHK2S1PR1S1PR3S1PR4
SCHEMBL12121498 1.00 SPHK1 (1.00) SPHK1SPHK2S1PR1S1PR3S1PR4
SCHEMBL1312473 0.96 SPHK1 (0.93) SPHK1SPHK2S1PR1S1PR3S1PR4
SCHEMBL1312097 0.91 SPHK1 (0.84) SPHK1SPHK2S1PR1S1PR3S1PR4

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 claimed
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

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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