SCHEMBL296184

SCHEMBL296184

CCCCCOc1c(Cl)cc(CC[C@](C)(CO)NC(=O)OC(C)(C)C)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 6/20 0.48
S1PR1 P21453 6/20 0.48
S1PR3 Q99500 6/20 0.48
LPAR2 Q9HBW0 5/20 0.48
SMN1; SMN2 Q16637 1/20 0.45
TRPV1 Q8NER1 1/20 0.39
NPC1 O15118 1/20 0.38
SLC6A5 Q9Y345 1/20 0.37
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL295593 0.88 SMN1; SMN2 (0.41) S1PR2S1PR1S1PR3LPAR2SMN1; SMN2
SCHEMBL296488 0.83 SMN1; SMN2 (0.39) S1PR1S1PR3SMN1; SMN2KMT2AKDM4E
SCHEMBL295021 0.80 S1PR1 (0.48) S1PR2S1PR1S1PR3LPAR2SMN1; SMN2
SCHEMBL295020 0.80 S1PR1 (0.48) S1PR2S1PR1S1PR3LPAR2SMN1; SMN2
SCHEMBL296595 0.79 SMN1; SMN2 (0.47) SMN1; SMN2NPC1THRBKMT2AKDM4E
SCHEMBL295919 0.79 S1PR1 (0.41) S1PR2S1PR1S1PR3LPAR2SMN1; SMN2
SCHEMBL296830 0.77 S1PR1 (0.54) S1PR1S1PR3SMN1; SMN2KMT2AKDM4E
SCHEMBL295947 0.77 S1PR2 (0.36) S1PR2S1PR1S1PR3LPAR2SMN1; SMN2
SCHEMBL12721394 0.76 S1PR1 (0.56) S1PR1S1PR3SMN1; SMN2KMT2AUSP2
SCHEMBL1624956 0.76 S1PR1 (0.56) S1PR1S1PR3SMN1; SMN2KMT2AUSP2

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-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
EP-1636171-A2 AMINO-PROPANOL DERIVATIVES AS SPHINGOSINE-1-PHOSPHATE RECEPTOR MODULATOR Novartis AG (CH) 2006-03-22 EP disclosed
WO-2004110979-A2 AMINO-PROPANOL DERIVATIVES AS SPHINGOSINE-1-PHOSPHATE RECEPTOR MODULATOR NOVARTIS AG (CH) 2004-12-23 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-20070010494-A1 Amino-propanol derivatives as sphingosine-1-phosphate receptor modulator S1PR1, S1PR3, S1PR2 S1PR2 3/4885S1PR1 1/4885S1PR3 2/4885

“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.