SCHEMBL12373835

SCHEMBL12373835

CCn1c(C(C)NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cnc1Oc1ccc2ccncc2c1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 14/20 0.43
S1PR3 Q99500 1/20 0.43
CYP2C19 P33261 2/20 0.43
CYP2D6 P10635 1/20 0.43
CNR1 P21554 1/20 0.40
SCN9A Q15858 2/20 0.37
CCR2 P41597 3/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL12373822 0.91 S1PR1 (0.46) S1PR1S1PR3CYP2C19CYP2D6CNR1
SCHEMBL12160954 0.87 S1PR1 (0.59) S1PR1S1PR3CYP2C19CYP2D6CNR1
SCHEMBL12373817 0.86 CNR1 (0.51) S1PR1S1PR3CNR1CCR2
SCHEMBL2279361 0.86 S1PR1 (0.51) S1PR1S1PR3CYP2C19CYP2D6CNR1
SCHEMBL12373849 0.85 S1PR1 (0.47) S1PR1S1PR3CYP2C19CYP2D6CNR1
SCHEMBL2278141 0.85 S1PR1 (0.48) S1PR1S1PR3CYP2C19CYP2D6CNR1
SCHEMBL12373819 0.85 S1PR1 (0.49) S1PR1S1PR3CYP2C19CYP2D6CNR1
SCHEMBL12373842 0.84 S1PR1 (0.47) S1PR1S1PR3CYP2C19CYP2D6CNR1
SCHEMBL12373790 0.84 S1PR1 (0.52) S1PR1S1PR3CNR1CCR2
SCHEMBL2279119 0.84 S1PR1 (0.43) S1PR1S1PR3CYP2C19CYP2D6CNR1

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 2/4885CYP2C19 3489/4885

“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.