SCHEMBL2834796

SCHEMBL2834796

CCCc1ccc(-c2ccc(COCCCP(=O)(OCC)OCC)nc2-c2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 9/20 0.67

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
SCHEMBL2836970 0.92 S1PR3 (0.78) S1PR3
SCHEMBL2834033 0.89 S1PR3 (0.76) S1PR3
SCHEMBL802972 0.88 S1PR3 (0.85) S1PR3
SCHEMBL803571 0.80 S1PR3 (1.00) S1PR3
SCHEMBL4003158 0.80 S1PR3 (0.57) S1PR3
SCHEMBL803396 0.76 S1PR3 (1.00) S1PR3
SCHEMBL802991 0.75 S1PR3 (0.86) S1PR3
SCHEMBL2836971 0.74 S1PR3 (0.76) S1PR3
SCHEMBL2833691 0.73 S1PR3 (0.60) S1PR3
SCHEMBL2834036 0.71 S1PR3 (0.74) S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7728014-B2 Heteroaromatic compounds having sphingosine-1-phosphate (S1P) receptor agonist biological activity ALLERGAN, INC. 2010-06-01 US disclosed
EP-2066633-A1 HETEROAROMATIC COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR AGONIST AND/OR ANTAGONIST BIOLOGICAL ACTIVITY Allergan, Inc. (US) 2009-06-10 EP disclosed
EP-2064183-A2 HETEROAROMATIC COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR AGONIST BIOLOGICAL ACTIVITY Allergan, Inc. (US) 2009-06-03 EP disclosed
WO-2008030838-A2 HETEROAROMATIC COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR AGONIST BIOLOGICAL ACTIVITY ALLERGAN, INC. (US) 2008-03-13 WO disclosed
WO-2008030843-A1 HETEROAROMATIC COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR AGONIST AND/OR ANTAGONIST BIOLOGICAL ACTIVITY ALLERGAN, INC. (US) 2008-03-13 WO disclosed
US-20080064872-A1 HETEROAROMATIC COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR AGONIST BIOLOGICAL ACTIVITY ALLERGAN, INC. 2008-03-13 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-20080064872-A1 HETEROAROMATIC COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR AGONIST BIOLOGICAL ACTIVITY S1PR4, S1PR3, S1PR1 S1PR3 2/4885

“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.