SCHEMBL295746

SCHEMBL295746

CCOc1ccc(CCOc2c(Cl)cc(CC[C@](C)(COP(=O)(OC(C)(C)C)OC(C)(C)C)NC(=O)OC(C)(C)C)cc2OC)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.34
S1PR1 P21453 2/20 0.34
S1PR3 Q99500 2/20 0.34
S1PR2 O95136 1/20 0.34
LPAR2 Q9HBW0 1/20 0.34
MAPT P10636 6/20 0.33
POLB P06746 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
HPGD P15428 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
LMNA P02545 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
GAA P10253 1/20 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) NPC1S1PR1S1PR3S1PR2LPAR2
SCHEMBL296595 0.83 SMN1; SMN2 (0.47) NPC1MAPTSMN1; SMN2LMNAALDH1A1
SCHEMBL295919 0.81 S1PR1 (0.41) S1PR1S1PR3S1PR2LPAR2SMN1; SMN2
SCHEMBL3278508 0.77 NPC1 (0.34) NPC1S1PR1S1PR3S1PR2LPAR2
SCHEMBL3278512 0.77 NPC1 (0.36) NPC1S1PR1S1PR3S1PR2LPAR2
SCHEMBL296377 0.77 S1PR1 (0.56) S1PR1S1PR3
SCHEMBL296488 0.77 SMN1; SMN2 (0.39) S1PR1S1PR3MAPTPOLBSMN1; SMN2
SCHEMBL296184 0.74 S1PR2 (0.48) NPC1S1PR1S1PR3S1PR2LPAR2
SCHEMBL13614222 0.73 CA12 (0.43) NPC1MAPT
SCHEMBL296294 0.73 SMN1; SMN2 (0.44) NPC1S1PR1S1PR3POLBSMN1; SMN2

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 NPC1 1423/4885S1PR1 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.