SCHEMBL3733297

SCHEMBL3733297

CC(C)(C)OC(=O)N[C@@](C)(CO)CCc1ccc2oc(-c3cccc(Oc4ccccc4)c3)nc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 7/20 0.43
S1PR3 Q99500 6/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
POLB P06746 1/20 0.41
THRB P10828 1/20 0.41
MAPT P10636 3/20 0.41
KDR P35968 1/20 0.41
FFAR1 O14842 1/20 0.41
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPK1 P28482 2/20 0.40
NPC1 O15118 2/20 0.40
HPSE Q9Y251 2/20 0.40
TP53 P04637 2/20 0.39
HPGD P15428 2/20 0.39
RAB9A P51151 2/20 0.39
HSD17B10 Q99714 2/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL6048297 0.93 CETP (0.44) S1PR1S1PR3SMN1; SMN2POLBMAPT
SCHEMBL3734221 0.93 CETP (0.44) S1PR1S1PR3SMN1; SMN2POLBMAPT
SCHEMBL3736330 0.91 KDR (0.47) S1PR1S1PR3SMN1; SMN2POLBMAPT
SCHEMBL3730952 0.90 MAPT (0.52) S1PR1S1PR3SMN1; SMN2POLBTHRB
SCHEMBL3736265 0.90 S1PR1 (0.47) S1PR1S1PR3SMN1; SMN2POLBKDR
SCHEMBL3731541 0.82 SMN1; SMN2 (0.46) S1PR1S1PR3SMN1; SMN2POLBMAPT
SCHEMBL3731538 0.82 SMN1; SMN2 (0.46) S1PR1S1PR3SMN1; SMN2POLBMAPT
SCHEMBL3736160 0.82 NPC1 (0.45) S1PR1S1PR3SMN1; SMN2POLBTHRB
SCHEMBL3738579 0.81 SLC2A1 (0.47) SMN1; SMN2POLBTHRBMAPTNPC1
SCHEMBL3742292 0.81 S1PR1 (0.42) S1PR1S1PR3POLBKDM4EALDH1A1

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-1622866-B1 AMINOPROPANOL DERIVATIVES AS SPHINGOSINE-1-PHOSPHATE RECEPTOR MODULATORS NOVARTIS AG (CH) 2012-07-25 EP disclosed
US-7825260-B2 Aminopropanol derivatives as sphingosine-1-phosphate receptor modulators NOVARTIS AG (CH) 2010-11-02 US disclosed
US-20060211656-A1 Aminopropanol derivatives as sphingosine-1-phosphate receptor modulators NOVARTIS AG (CH) 2006-09-21 US disclosed
EP-1622866-A1 AMINOPROPANOL DERIVATIVES AS SPHINGOSINE-1-PHOSPHATE RECEPTOR MODULATORS Novartis AG (CH) 2006-02-08 EP disclosed
WO-2004096757-A1 AMINOPROPANOL DERIVATIVES AS SPHINGOSINE-1-PHOSPHATE RECEPTOR MODULATORS NOVARTIS AG (CH) 2004-11-11 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-20060211656-A1 Aminopropanol derivatives as sphingosine-1-phosphate receptor modulators S1PR1, S1PR3, S1PR2 S1PR1 1/4885S1PR3 2/4885SMN1; SMN2 3119/4885

“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.