SCHEMBL3736660

SCHEMBL3736660

CC(C)(C)OC(=O)N[C@@](C)(CO)CCc1ccc(OCc2ccccc2)c([N+](=O)[O-])c1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 8/20 0.51
CD274 Q9NZQ7 8/20 0.51
CTSV O60911 4/20 0.48
CTSL P07711 4/20 0.48
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 2/20 0.43
POLB P06746 1/20 0.42
ABCB1 P08183 1/20 0.42

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
SCHEMBL3739193 0.87 CTSV (0.42) PDCD1CD274CTSVCTSLMEN1
SCHEMBL10476194 0.82 POLB (0.42) PDCD1CD274ALDH1A1MAPTPOLB
SCHEMBL3743347 0.82 POLB (0.42) PDCD1CD274ALDH1A1MAPTPOLB
SCHEMBL3739196 0.81 CTSV (0.44) PDCD1CD274CTSVCTSLMEN1
SCHEMBL3739198 0.81 CTSV (0.42) PDCD1CD274CTSVCTSLMEN1
SCHEMBL4817662 0.81 FFAR1 (0.50) MEN1KMT2AMAPT
SCHEMBL13614219 0.79 CA12 (0.51) CTSLMAPT
SCHEMBL5642071 0.78 CTSV (0.56) PDCD1CD274CTSVCTSLMEN1
SCHEMBL22154247 0.77 BCL2 (0.47) PDCD1CD274CTSVCTSL
SCHEMBL28642378 0.77 BCL2 (0.47) PDCD1CD274CTSVCTSL

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 PDCD1 4348/4885CD274 3680/4885CTSV 4296/4885

“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.