SCHEMBL6704299

SCHEMBL6704299

CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCNc1ccc([N+](=O)[O-])c2nonc12

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 3/20 0.48
▸ S1PR3 Q99500 3/20 0.48
▸ S1PR4 O95977 2/20 0.48
▸ S1PR5 Q9H228 2/20 0.48
▸ FABP3 P05413 1/20 0.47
▸ GSTM2 P28161 1/20 0.46
▸ LPAR3 Q9UBY5 7/20 0.44
▸ LPAR1 Q92633 4/20 0.44
▸ SELP P16109 1/20 0.43
▸ ENPP2 Q13822 3/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ SUCNR1 Q9BXA5 1/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.41
▸ NAPEPLD Q6IQ20 1/20 0.41
▸ SMPD1 P17405 1/20 0.41
▸ LPAR2 Q9HBW0 2/20 0.40

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
SCHEMBL6510371 1.00 S1PR1 (0.48) S1PR1S1PR3S1PR4S1PR5FABP3
SCHEMBL2360799 0.96 S1PR1 (0.53) S1PR1S1PR3S1PR4S1PR5FABP3
SCHEMBL4222844 0.94 FABP3 (0.50) S1PR1S1PR3S1PR4S1PR5FABP3
SCHEMBL4419953 0.93 S1PR1 (0.47) S1PR1S1PR3S1PR4S1PR5FABP3
SCHEMBL29523085 0.92 FABP3 (0.59) S1PR1S1PR3S1PR4S1PR5FABP3
SCHEMBL15500035 0.91 S1PR1 (0.56) S1PR1S1PR3S1PR4S1PR5GSTM2
SCHEMBL17240248 0.91 S1PR1 (0.56) S1PR1S1PR3S1PR4S1PR5GSTM2
SCHEMBL12272715 0.91 S1PR1 (0.56) S1PR1S1PR3S1PR4S1PR5GSTM2
SCHEMBL6762713 0.89 GSTM2 (0.57) S1PR1S1PR3S1PR4S1PR5GSTM2
SCHEMBL30139964 0.88 S1PR4 (0.54) S1PR1S1PR3S1PR4S1PR5SELP

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-20120301457-A1 LIPID COFACTORS FOR FACILITATING PROPOGATION OF PRPsc NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR NIH 2012-11-29 — — US disclosed
US-20120301457-A1 LIPID COFACTORS FOR FACILITATING PROPOGATION OF PRPsc NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR NIH 2012-11-29 — — US disclosed
US-20040018601-A1 Method for generating pure populations of mobile mebrane-associated biomolecules on supported lipid bilayers BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2004-01-29 — — US disclosed
US-20020009807-A1 Lipid bilayer array method and devices NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2002-01-24 — — 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-20120301457-A1 LIPID COFACTORS FOR FACILITATING PROPOGATION OF PRPsc PRNP, PRPH, PRPS1 S1PR1 1179/4885S1PR3 1135/4885S1PR4 1112/4885

“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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