SCHEMBL12373800

SCHEMBL12373800

CCn1c(C(Cc2ccccc2)NS(=O)(=O)c2ccc3c(Cl)cccc3c2)cnc1Oc1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.47
S1PR1 P21453 11/20 0.42
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
GNRHR P30968 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
KMT2A Q03164 1/20 0.38
S1PR3 Q99500 1/20 0.37
SCN5A Q14524 1/20 0.36
SCN9A Q15858 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL12373811 0.98 S1PR1 (0.44) NPSR1S1PR1CYP1A2CYP3A4CYP2D6
SCHEMBL12373806 0.95 NPSR1 (0.45) NPSR1S1PR1CYP1A2CYP3A4CYP2D6
SCHEMBL12373797 0.92 NPSR1 (0.41) NPSR1S1PR1CYP1A2CYP3A4CYP2D6
SCHEMBL12373799 0.89 NPSR1 (0.49) NPSR1S1PR1GNRHRS1PR3
SCHEMBL12373792 0.88 S1PR1 (0.45) NPSR1S1PR1CYP1A2CYP3A4CYP2D6
SCHEMBL12373815 0.88 S1PR1 (0.38) NPSR1S1PR1CYP1A2CYP3A4CYP2D6
SCHEMBL12373809 0.86 S1PR1 (0.49) NPSR1S1PR1GNRHRALDH1A1S1PR3
SCHEMBL12373821 0.83 S1PR1 (0.53) NPSR1S1PR1S1PR3
SCHEMBL12373804 0.83 S1PR1 (0.48) NPSR1S1PR1GNRHRS1PR3
SCHEMBL2275493 0.80 S1PR1 (0.44) NPSR1S1PR1ALDH1A1S1PR3

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 NPSR1 110/4885S1PR1 1/4885CYP1A2 2848/4885

“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.