SCHEMBL3733136

SCHEMBL3733136

CC(C)(C)OC(=O)N[C@@](C)(CO)CCc1ccc2oc(-c3ccc4c(c3)OCO4)nc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.50
TSHR P16473 2/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 4/20 0.43
TP53 P04637 3/20 0.43
HPGD P15428 3/20 0.43
HSD17B10 Q99714 3/20 0.43
ALDH1A1 P00352 2/20 0.43
GAA P10253 1/20 0.43
PPARG P37231 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NR2E3 Q9Y5X4 1/20 0.43
NCOR2 Q9Y618 1/20 0.43
HPSE Q9Y251 2/20 0.42
NPSR1 Q6W5P4 2/20 0.41
NPC1 O15118 2/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
SAE1 Q9UBE0 1/20 0.41
UBA2 Q9UBT2 1/20 0.41

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
SCHEMBL3728482 0.87 UTRN (0.48) MAPTKDM4ETP53ALDH1A1SMN1; SMN2
SCHEMBL3736265 0.85 S1PR1 (0.47) HDAC6KDM4ETP53ALDH1A1SMN1; SMN2
SCHEMBL3736330 0.85 KDR (0.47) HDAC6MAPTKDM4ETP53ALDH1A1
SCHEMBL3738579 0.84 SLC2A1 (0.47) MAPTTP53SMN1; SMN2HPSENPC1
SCHEMBL6048297 0.82 CETP (0.44) MAPTKDM4ETP53HPGDALDH1A1
SCHEMBL3734221 0.82 CETP (0.44) MAPTKDM4ETP53HPGDALDH1A1
SCHEMBL3742292 0.82 S1PR1 (0.42) HDAC6KDM4EALDH1A1PPARGHPSE
SCHEMBL3741781 0.81 P2RY14 (0.45) TSHRMAPTKDM4ETP53HPGD
SCHEMBL3736537 0.81 HDAC6 (0.50) HDAC6TSHRMAPTKDM4ETP53
SCHEMBL3736532 0.81 HDAC6 (0.50) HDAC6TSHRMAPTKDM4ETP53

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 HDAC6 4394/4885TSHR 310/4885MAPT 3855/4885

“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.