SCHEMBL12373881

SCHEMBL12373881

CCn1c(C(C)NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cnc1OC1CCC1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 7/20 0.45
S1PR3 Q99500 1/20 0.45
SCN8A Q9UQD0 9/20 0.41
ALDH1A1 P00352 2/20 0.38
NR3C1 P04150 1/20 0.38
SCN1A P35498 5/20 0.37
CNR1 P21554 1/20 0.37

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
SCHEMBL12373847 0.97 S1PR1 (0.44) S1PR1S1PR3SCN8AALDH1A1NR3C1
SCHEMBL12373851 0.85 S1PR1 (0.50) S1PR1S1PR3ALDH1A1NR3C1CNR1
SCHEMBL12373856 0.85 S1PR1 (0.50) S1PR1S1PR3ALDH1A1NR3C1CNR1
SCHEMBL12373910 0.85 S1PR1 (0.57) S1PR1S1PR3ALDH1A1CNR1
SCHEMBL12373858 0.84 S1PR1 (0.48) S1PR1S1PR3NR3C1CNR1
SCHEMBL12373819 0.82 S1PR1 (0.49) S1PR1S1PR3ALDH1A1NR3C1CNR1
SCHEMBL12373875 0.82 S1PR1 (0.47) S1PR1S1PR3NR3C1CNR1
SCHEMBL12373817 0.81 CNR1 (0.51) S1PR1S1PR3ALDH1A1CNR1
SCHEMBL12373861 0.81 S1PR1 (0.48) S1PR1S1PR3ALDH1A1CNR1
SCHEMBL2279361 0.81 S1PR1 (0.51) S1PR1S1PR3CNR1

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 2/4885SCN8A 2294/4885

“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.