SCHEMBL295919

SCHEMBL295919

CCCCCOc1c(Cl)cc(CC[C@](C)(COP(=O)(OC(C)(C)C)OC(C)(C)C)NC(=O)OC(C)(C)C)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 6/20 0.41
S1PR3 Q99500 5/20 0.41
S1PR2 O95136 3/20 0.41
LPAR2 Q9HBW0 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.35
THRA P10827 3/20 0.34
THRB P10828 3/20 0.34
S1PR4 O95977 2/20 0.34
S1PR5 Q9H228 2/20 0.34
AAK1 Q2M2I8 7/20 0.33
CNR2 P34972 2/20 0.32

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
SCHEMBL295947 0.84 S1PR2 (0.36) S1PR1S1PR3S1PR2LPAR2SMN1; SMN2
SCHEMBL295746 0.81 NPC1 (0.34) S1PR1S1PR3S1PR2LPAR2SMN1; SMN2
SCHEMBL13851949 0.80 S1PR1 (0.52) S1PR1S1PR3THRATHRBS1PR4
SCHEMBL296184 0.79 S1PR2 (0.48) S1PR1S1PR3S1PR2LPAR2SMN1; SMN2
SCHEMBL295593 0.79 SMN1; SMN2 (0.41) S1PR1S1PR3S1PR2LPAR2SMN1; SMN2
SCHEMBL86787 0.76 AAK1 (0.41) S1PR1S1PR3S1PR4S1PR5AAK1
SCHEMBL13614222 0.76 CA12 (0.43) AAK1
SCHEMBL295920 0.73 S1PR1 (0.37) S1PR1S1PR3S1PR2LPAR2SMN1; SMN2
SCHEMBL295921 0.73 S1PR1 (0.37) S1PR1S1PR3S1PR2LPAR2SMN1; SMN2
SCHEMBL3738559 0.72 ALDH1A1 (0.39) AAK1

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
EP-1636171-B1 AMINO-PROPANOL DERIVATIVES AS SPHINGOSINE-1-PHOSPHATE RECEPTOR MODULATORS NOVARTIS AG (CH) 2012-03-14 EP disclosed
US-7696184-B2 Amino-propanol derivatives as sphingosine-1-phosphate receptor modulator NOVARTIS AG (CH) 2010-04-13 US disclosed
US-20070010494-A1 Amino-propanol derivatives as sphingosine-1-phosphate receptor modulator NOVARTIS AG (CH) 2007-01-11 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-20070010494-A1 Amino-propanol derivatives as sphingosine-1-phosphate receptor modulator S1PR1, S1PR3, S1PR2 S1PR1 1/4885S1PR3 2/4885S1PR2 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.