SCHEMBL296488

SCHEMBL296488

COc1cc(CC[C@](C)(CO)NC(=O)OC(C)(C)C)cc(Cl)c1OCCc1ccc(-c2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPK1 P28482 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39
ACLY P53396 1/20 0.39
KDM4E B2RXH2 2/20 0.36
SLC13A5 Q86YT5 1/20 0.36
PDE4D Q08499 1/20 0.36
USP2 O75604 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL296184 0.83 S1PR2 (0.48) SMN1; SMN2ALDH1A1KMT2AS1PR1S1PR3
SCHEMBL293676 0.82 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1MAPK1NPSR1MEN1
SCHEMBL293675 0.82 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1MAPK1NPSR1MEN1
SCHEMBL296595 0.82 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1NPSR1MEN1KMT2A
SCHEMBL295746 0.77 NPC1 (0.34) SMN1; SMN2ALDH1A1MEN1KMT2AS1PR1
SCHEMBL14268156 0.76 ADRB2 (0.49) ALDH1A1PDE4D
SCHEMBL13614219 0.75 CA12 (0.51) MAPT
SCHEMBL688475 0.73 PPARG (0.47) S1PR1S1PR3
SCHEMBL295593 0.72 SMN1; SMN2 (0.41) SMN1; SMN2KMT2AS1PR1S1PR3
SCHEMBL4816575 0.72 FFAR1 (0.51) S1PR1S1PR3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1636171-B1 AMINO-PROPANOL DERIVATIVES AS SPHINGOSINE-1-PHOSPHATE RECEPTOR MODULATORS NOVARTIS AG (CH) 2012-03-14 EP disclosed
US-7696184-B2 Amino-propanol derivatives as sphingosine-1-phosphate receptor modulator NOVARTIS AG (CH) 2010-04-13 US disclosed
US-20070010494-A1 Amino-propanol derivatives as sphingosine-1-phosphate receptor modulator NOVARTIS AG (CH) 2007-01-11 US 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-20070010494-A1 Amino-propanol derivatives as sphingosine-1-phosphate receptor modulator S1PR1, S1PR3, S1PR2 SMN1; SMN2 2873/4885ALDH1A1 2031/4885MAPK1 1496/4885

“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.