SCHEMBL688539

SCHEMBL688539

C[C@@](N)(CCc1ccc(OCCOc2ccc(Cl)cc2)cc1)COP(=O)(O)O

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.73
S1PR3 Q99500 18/20 0.73
S1PR4 O95977 9/20 0.73
S1PR5 Q9H228 9/20 0.73

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
SCHEMBL688540 1.00 S1PR1 (0.73) S1PR1S1PR3S1PR4S1PR5
SCHEMBL773864 0.86 S1PR1 (0.98) S1PR1S1PR3S1PR4S1PR5
SCHEMBL12084862 0.85 S1PR1 (1.00) S1PR1S1PR3S1PR4S1PR5
SCHEMBL4817298 0.85 S1PR1 (1.00) S1PR1S1PR3S1PR4S1PR5
SCHEMBL4821435 0.85 S1PR1 (0.76) S1PR1S1PR3S1PR4S1PR5
SCHEMBL6428128 0.85 S1PR1 (0.76) S1PR1S1PR3S1PR4S1PR5
SCHEMBL4817638 0.85 S1PR1 (1.00) S1PR1S1PR3S1PR4S1PR5
SCHEMBL4825689 0.84 S1PR1 (0.78) S1PR1S1PR3S1PR4S1PR5
SCHEMBL13614240 0.84 S1PR1 (0.81) S1PR1S1PR3S1PR4S1PR5
SCHEMBL13614239 0.83 S1PR1 (0.72) S1PR1S1PR3S1PR4S1PR5

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
EP-1622860-B1 AMINO-PROPANOL DERIVATIVES AS SPHINGOSINE-1-PHOSPHATE RECEPTOR MODULATORs NOVARTIS AG (CH) 2012-02-29 EP disclosed
EP-1622860-B1 AMINO-PROPANOL DERIVATIVES AS SPHINGOSINE-1-PHOSPHATE RECEPTOR MODULATORs NOVARTIS AG (CH) 2012-02-29 EP disclosed
US-7625950-B2 Mono phosphoric acid mono-{2-amino-2-hydroxymethyl-4-[4-(3-phenoxy-propoxy)-phenyl]-butyl} ester; treatment, prevention of diseases or disorders mediated by lymphocytes interactions in transplantation; anticarcinogenic agent, antiinflammatory agent, antiproliferative agent, antidiabetic agent NOVARTIS AG (CH) 2009-12-01 US disclosed
US-7625950-B2 Mono phosphoric acid mono-{2-amino-2-hydroxymethyl-4-[4-(3-phenoxy-propoxy)-phenyl]-butyl} ester; treatment, prevention of diseases or disorders mediated by lymphocytes interactions in transplantation; anticarcinogenic agent, antiinflammatory agent, antiproliferative agent, antidiabetic agent NOVARTIS AG (CH) 2009-12-01 US disclosed
US-7625950-B2 Mono phosphoric acid mono-{2-amino-2-hydroxymethyl-4-[4-(3-phenoxy-propoxy)-phenyl]-butyl} ester; treatment, prevention of diseases or disorders mediated by lymphocytes interactions in transplantation; anticarcinogenic agent, antiinflammatory agent, antiproliferative agent, antidiabetic agent NOVARTIS AG (CH) 2009-12-01 US disclosed
US-20060211658-A1 Amino-propanol derivatives as sphingosine-1-phosphate receptor modulator NOVARTIS AG (CH) 2006-09-21 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-20060211658-A1 Amino-propanol derivatives as sphingosine-1-phosphate receptor modulator S1PR1, S1PR3, S1PR2 S1PR1 1/4885S1PR3 2/4885S1PR4 4/4885

“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.