SCHEMBL3739196

SCHEMBL3739196

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

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSV O60911 4/20 0.44
CTSL P07711 4/20 0.44
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 3/20 0.41
PDCD1 Q15116 3/20 0.39
CD274 Q9NZQ7 3/20 0.39
MAPT P10636 2/20 0.38
BCL2 P10415 3/20 0.38
POLB P06746 2/20 0.37
ABCB1 P08183 1/20 0.37
MCL1 Q07820 1/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL3739198 0.88 CTSV (0.42) CTSVCTSLMEN1KMT2AALDH1A1
SCHEMBL3736660 0.81 PDCD1 (0.51) CTSVCTSLMEN1KMT2AALDH1A1
SCHEMBL3739193 0.75 CTSV (0.42) CTSVCTSLMEN1KMT2AALDH1A1
SCHEMBL3738563 0.75 ALDH1A1 (0.39) ALDH1A1
SCHEMBL6048288 0.75 ALDH1A1 (0.39) ALDH1A1
SCHEMBL28642378 0.71 BCL2 (0.47) CTSVCTSLPDCD1CD274BCL2
SCHEMBL22154247 0.71 BCL2 (0.47) CTSVCTSLPDCD1CD274BCL2
SCHEMBL5642071 0.70 CTSV (0.56) CTSVCTSLMEN1KMT2AALDH1A1
SCHEMBL10559218 0.69 CTSV (0.57) CTSVCTSLMEN1KMT2AALDH1A1
SCHEMBL10410167 0.68 CTSV (0.59) CTSVCTSLMEN1KMT2AALDH1A1

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 CTSV 4296/4885CTSL 3755/4885MEN1 3336/4885

“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.