SCHEMBL295364

SCHEMBL295364

CCCCCOc1c(C)cc(CCC(C)(N)CO)cc1Br

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRA P10827 4/20 0.48
THRB P10828 4/20 0.48
S1PR1 P21453 10/20 0.41
S1PR3 Q99500 8/20 0.41
S1PR4 O95977 7/20 0.41
S1PR5 Q9H228 6/20 0.41
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
S1PR2 O95136 1/20 0.38
LPAR2 Q9HBW0 1/20 0.38
TNNC1 P63316 5/20 0.36
SGPL1 O95470 1/20 0.36
GPR183 P32249 1/20 0.36
CERS2 Q96G23 1/20 0.36
HRH3 Q9Y5N1 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
SCHEMBL295363 1.00 THRA (0.48) THRATHRBS1PR1S1PR3S1PR4
SCHEMBL295392 0.93 THRA (0.55) THRATHRBS1PR1S1PR3S1PR4
SCHEMBL295393 0.93 THRA (0.55) THRATHRBS1PR1S1PR3S1PR4
Hydrochloric Acid SCHEMBL295255 0.91 THRA (0.54) THRATHRBS1PR1S1PR3S1PR4
Hydrochloric Acid SCHEMBL295254 0.91 THRA (0.54) THRATHRBS1PR1S1PR3S1PR4
SCHEMBL365503 0.91 S1PR1 (0.45) THRATHRBS1PR1S1PR3S1PR4
SCHEMBL294682 0.80 SMN1; SMN2 (0.46) THRATHRBS1PR1S1PR3S1PR4
SCHEMBL294681 0.80 SMN1; SMN2 (0.46) THRATHRBS1PR1S1PR3S1PR4
SCHEMBL12337601 0.77 S1PR1 (0.58) S1PR1S1PR3S1PR4S1PR5S1PR2
SCHEMBL294540 0.75 SMN1; SMN2 (0.42) THRATHRBS1PR1S1PR3S1PR4

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 6 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
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 THRA 286/4885THRB 227/4885S1PR1 1/4885

“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.