SCHEMBL295949

SCHEMBL295949

COc1cc(CC[C@@](C)(NC(=O)OC(C)(C)C)C(O[PH2]=O)(OC(C)(C)C)OC(C)(C)C)cc(Cl)c1OCCCC(F)(F)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
LPAR2 Q9HBW0 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 2/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
USP2 O75604 1/20 0.32
POLB P06746 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.30
BLM P54132 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL295948 0.89 S1PR2 (0.33) S1PR2S1PR1S1PR3LPAR2NPC1
SCHEMBL3278512 0.84 NPC1 (0.36) S1PR2S1PR1S1PR3LPAR2NPC1
SCHEMBL295921 0.84 S1PR1 (0.37) S1PR2S1PR1S1PR3LPAR2SMN1; SMN2
SCHEMBL295947 0.76 S1PR2 (0.36) S1PR2S1PR1S1PR3LPAR2NPC1
SCHEMBL3278508 0.73 NPC1 (0.34) S1PR2S1PR1S1PR3LPAR2NPC1
SCHEMBL13385093 0.73 SMN1; SMN2 (0.41) S1PR2S1PR1S1PR3LPAR2NPC1
SCHEMBL295920 0.72 S1PR1 (0.37) S1PR2S1PR1S1PR3LPAR2SMN1; SMN2
SCHEMBL295723 0.71 SMN1; SMN2 (0.40) S1PR2S1PR1S1PR3LPAR2NPC1
SCHEMBL295722 0.71 SMN1; SMN2 (0.40) S1PR2S1PR1S1PR3LPAR2NPC1
SCHEMBL296184 0.71 S1PR2 (0.48) S1PR2S1PR1S1PR3LPAR2NPC1

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-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
EP-1636171-A2 AMINO-PROPANOL DERIVATIVES AS SPHINGOSINE-1-PHOSPHATE RECEPTOR MODULATOR Novartis AG (CH) 2006-03-22 EP disclosed
WO-2004110979-A2 AMINO-PROPANOL DERIVATIVES AS SPHINGOSINE-1-PHOSPHATE RECEPTOR MODULATOR NOVARTIS AG (CH) 2004-12-23 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-20070010494-A1 Amino-propanol derivatives as sphingosine-1-phosphate receptor modulator S1PR1, S1PR3, S1PR2 S1PR2 3/4885S1PR1 1/4885S1PR3 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.