SCHEMBL1312010

SCHEMBL1312010

CCCCCCCc1nc(-c2ccc(CNC(=O)C(N)CCO)cc2)no1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SPHK1 Q9NYA1 14/20 0.67
▸ S1PR2 O95136 1/20 0.55
▸ S1PR1 P21453 1/20 0.55
▸ S1PR3 Q99500 1/20 0.55
▸ LPAR2 Q9HBW0 1/20 0.55
▸ SPHK2 Q9NRA0 2/20 0.50
▸ HDAC1 Q13547 2/20 0.45
▸ HDAC2 Q92769 1/20 0.45
▸ HDAC8 Q9BY41 1/20 0.45

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
SCHEMBL1312007 1.00 SPHK1 (0.67) SPHK1S1PR2S1PR1S1PR3LPAR2
SCHEMBL12117899 0.85 SPHK1 (0.59) SPHK1S1PR2S1PR1S1PR3LPAR2
SCHEMBL26887947 0.84 SPHK1 (0.57) SPHK1S1PR2S1PR1S1PR3LPAR2
Hydrochloric Acid SCHEMBL26691060 0.83 SPHK1 (0.56) SPHK1S1PR2S1PR1S1PR3LPAR2
Hydrochloric Acid SCHEMBL26691046 0.83 SPHK1 (0.56) SPHK1S1PR2S1PR1S1PR3LPAR2
SCHEMBL26887997 0.83 SPHK1 (0.53) SPHK1S1PR2S1PR1S1PR3LPAR2
SCHEMBL1315062 0.82 SPHK1 (0.60) SPHK1S1PR2S1PR1S1PR3LPAR2
Hydrochloric Acid SCHEMBL29496306 0.82 SPHK1 (0.52) SPHK1S1PR2S1PR1S1PR3LPAR2
Hydrochloric Acid SCHEMBL26690889 0.81 SPHK1 (0.52) SPHK1S1PR2S1PR1S1PR3LPAR2
Hydrochloric Acid SCHEMBL26690879 0.81 SPHK1 (0.52) SPHK1S1PR2S1PR1S1PR3LPAR2

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-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
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 1/4885S1PR2 5/4885S1PR1 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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