SCHEMBL3743347

SCHEMBL3743347

CC(C)(C)OC(=O)N[C@@](C)(CO)CCc1ccc(O)c([N+](=O)[O-])c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
MAPT P10636 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SLC5A1 P13866 1/20 0.38
GRM4 Q14833 1/20 0.38
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
ITGA4 P13612 1/20 0.37
ITGB7 P26010 1/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPK1 P28482 2/20 0.37
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GPR35 Q9HC97 1/20 0.37
KDM4E B2RXH2 2/20 0.36
APOBEC3G Q9HC16 1/20 0.36
DBH P09172 1/20 0.36
ALOX15 P16050 1/20 0.36

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
SCHEMBL10476194 1.00 POLB (0.42) POLBMAPTNPSR1SLC5A1GRM4
SCHEMBL3742023 0.82 ALDH1A1 (0.46) MAPTSLC5A1ALDH1A1MAPK1TSHR
SCHEMBL10476123 0.82 ALDH1A1 (0.46) MAPTSLC5A1ALDH1A1MAPK1TSHR
SCHEMBL3736660 0.82 PDCD1 (0.51) POLBMAPTPDCD1CD274ALDH1A1
SCHEMBL1625903 0.79 CTSS (0.43) KDM4E
SCHEMBL12721376 0.79 CTSS (0.43) KDM4E
SCHEMBL12721396 0.76 NPC1 (0.44) MAPTHPGDSMN1; SMN2
SCHEMBL7252157 0.76 ATM (0.43) POLBMAPTNPSR1GRM4ITGA4
SCHEMBL7037678 0.76 ATM (0.43) POLBMAPTNPSR1GRM4ITGA4
SCHEMBL9558321 0.75 POLB (0.46) POLBMAPTNPSR1GRM4ITGA4

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 POLB 3911/4885MAPT 3855/4885NPSR1 65/4885

“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.