SCHEMBL294539

SCHEMBL294539

CCCCCOc1c(F)cc(CC[C@@](C)(N)CO)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
S1PR1 P21453 12/20 0.41
S1PR3 Q99500 9/20 0.41
S1PR4 O95977 7/20 0.41
S1PR5 Q9H228 6/20 0.41
S1PR2 O95136 1/20 0.37
LPAR2 Q9HBW0 1/20 0.37
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
TNNC1 P63316 5/20 0.36
SGPL1 O95470 1/20 0.36
GPR183 P32249 1/20 0.36
CERS2 Q96G23 1/20 0.36
GLA P06280 1/20 0.36
SPHK2 Q9NRA0 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
SCHEMBL294540 1.00 SMN1; SMN2 (0.42) SMN1; SMN2S1PR1S1PR3S1PR4S1PR5
Hydrochloric Acid SCHEMBL296214 0.99 SMN1; SMN2 (0.41) SMN1; SMN2S1PR1S1PR3S1PR4S1PR5
Hydrochloric Acid SCHEMBL296215 0.99 SMN1; SMN2 (0.41) SMN1; SMN2S1PR1S1PR3S1PR4S1PR5
SCHEMBL294682 0.92 SMN1; SMN2 (0.46) SMN1; SMN2S1PR1S1PR3S1PR4S1PR5
SCHEMBL294681 0.92 SMN1; SMN2 (0.46) SMN1; SMN2S1PR1S1PR3S1PR4S1PR5
SCHEMBL295020 0.85 S1PR1 (0.48) SMN1; SMN2S1PR1S1PR3S1PR4S1PR5
SCHEMBL295021 0.85 S1PR1 (0.48) SMN1; SMN2S1PR1S1PR3S1PR4S1PR5
SCHEMBL295393 0.82 THRA (0.55) S1PR1S1PR3S1PR4S1PR5S1PR2
SCHEMBL295392 0.82 THRA (0.55) S1PR1S1PR3S1PR4S1PR5S1PR2
Hydrochloric Acid SCHEMBL295255 0.81 THRA (0.54) S1PR1S1PR3S1PR4S1PR5S1PR2

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 7 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 claimed
US-7696184-B2 Amino-propanol derivatives as sphingosine-1-phosphate receptor modulator NOVARTIS AG (CH) 2010-04-13 US 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
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 SMN1; SMN2 2873/4885S1PR1 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.