SCHEMBL6130106

SCHEMBL6130106

CCCCCCCCc1ccc(CCC(CCP(=O)(OCC)OCC)C(=O)OCC)cc1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 18/20 0.49
S1PR3 Q99500 15/20 0.49
S1PR4 O95977 12/20 0.49
S1PR2 O95136 11/20 0.49
ENPP2 Q13822 1/20 0.44
S1PR5 Q9H228 6/20 0.43

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
SCHEMBL7552672 0.77 S1PR1 (0.45) S1PR1S1PR3S1PR4S1PR2
SCHEMBL903613 0.76 S1PR1 (0.55) S1PR1S1PR3S1PR4S1PR2
SCHEMBL7552673 0.76 S1PR1 (0.44) S1PR1S1PR3S1PR4S1PR2
SCHEMBL5808208 0.76 SMN1; SMN2 (0.49) S1PR1S1PR2
SCHEMBL6130137 0.74 S1PR4 (0.45) S1PR1S1PR3S1PR4S1PR2ENPP2
SCHEMBL11269284 0.72 SMN1; SMN2 (0.51)
SCHEMBL6130131 0.71 S1PR4 (0.46) S1PR1S1PR3S1PR4S1PR2ENPP2
SCHEMBL6839732 0.71 CYSLTR2 (0.51) S1PR1S1PR2ENPP2
SCHEMBL5427574 0.71 GRIK1 (0.47)
SCHEMBL7201044 0.70 ALDH1A1 (0.50) S1PR1S1PR3S1PR2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1315735-A4 PHOSPHATE DERIVATIVES AS IMMUNOREGULATORY AGENTS MERCK & CO INC (US) 2005-04-06 EP disclosed
EP-1315735-A1 PHOSPHATE DERIVATIVES AS IMMUNOREGULATORY AGENTS Merck & Co., Inc. (US) 2003-06-04 EP disclosed
US-6437165-B1 USEFUL FOR TREATING IMMUNE MEDIATED DISEASES AND CONDITIONS, SUCH AS BONE MARROW, ORGAN AND TISSUE TRANSPLANT REJECTION. MERCK & CO., INC. 2002-08-20 US disclosed
US-20020091105-A1 Phosphate derivatives as immunoregulatory agents MERCK & CO., INC. 2002-07-11 US disclosed
WO-2002018395-A1 PHOSPHATE DERIVATIVES AS IMMUNOREGULATORY AGENTS MERCK & CO., INC. (US) 2002-03-07 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-20020091105-A1 Phosphate derivatives as immunoregulatory agents ALPP, PPIP5K2, ALPI S1PR1 382/4885S1PR3 520/4885S1PR4 499/4885

“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.