SCHEMBL12373836

SCHEMBL12373836

CC(NS(=O)(=O)c1ccc2c(Cl)cccc2c1)c1cnc(Oc2ccc(F)cc2)n1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39
HTR6 P50406 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
SCN9A Q15858 7/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
SCN5A Q14524 3/20 0.38
ALDH1A1 P00352 2/20 0.38
TP53 P04637 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR7 P34969 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
GHSR Q92847 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
SCHEMBL12373792 0.89 S1PR1 (0.45) S1PR1S1PR3HTR6CYP1A2CYP3A4
SCHEMBL12373829 0.86 S1PR1 (0.45) S1PR1S1PR3CYP1A2CYP3A4CYP2D6
SCHEMBL12373797 0.82 NPSR1 (0.41) S1PR1S1PR3HTR6CYP1A2CYP3A4
SCHEMBL12373815 0.80 S1PR1 (0.38) S1PR1S1PR3HTR6CYP1A2CYP3A4
SCHEMBL12161127 0.80 S1PR1 (0.61) S1PR1S1PR3CYP1A2CYP3A4CYP2D6
SCHEMBL12373811 0.80 S1PR1 (0.44) S1PR1S1PR3HTR6CYP1A2CYP3A4
SCHEMBL12373800 0.79 NPSR1 (0.47) S1PR1S1PR3CYP1A2CYP3A4CYP2D6
SCHEMBL12373806 0.78 NPSR1 (0.45) S1PR1S1PR3HTR6CYP1A2CYP3A4
SCHEMBL12373790 0.75 S1PR1 (0.52) S1PR1S1PR3KMT2AALDH1A1SMN1; SMN2
SCHEMBL12373788 0.75 HTR6 (0.46) S1PR1S1PR3HTR6SMN1; SMN2HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7994204-B2 Binding inhibitor of sphingosine-1-phosphate TAISHO PHARMACEUTICAL CO., LTD (JP) 2011-08-09 US disclosed
US-7994204-B2 Binding inhibitor of sphingosine-1-phosphate TAISHO PHARMACEUTICAL CO., LTD (JP) 2011-08-09 US disclosed
US-20090182144-A1 BINDING INHIBITOR OF SPHINGOSINE-1-PHOSPHATE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-07-16 US disclosed
US-20090182144-A1 BINDING INHIBITOR OF SPHINGOSINE-1-PHOSPHATE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-07-16 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-20090182144-A1 BINDING INHIBITOR OF SPHINGOSINE-1-PHOSPHATE S1PR1, S1PR3, S1PR2 S1PR1 1/4885S1PR3 2/4885HTR6 1705/4885

“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.