SCHEMBL12373861

SCHEMBL12373861

CCn1c(C(C)NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cnc1OCC(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 18/20 0.48
S1PR3 Q99500 1/20 0.48
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CNR1 P21554 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL12373851 0.89 S1PR1 (0.50) S1PR1S1PR3ALDH1A1CNR1CYP2C19
SCHEMBL12373858 0.87 S1PR1 (0.48) S1PR1S1PR3CNR1CYP2C19
SCHEMBL12373856 0.87 S1PR1 (0.50) S1PR1S1PR3ALDH1A1CNR1CYP2C19
SCHEMBL12373910 0.87 S1PR1 (0.57) S1PR1S1PR3ALDH1A1CNR1CYP2C19
SCHEMBL12373875 0.85 S1PR1 (0.47) S1PR1S1PR3SMN1; SMN2CNR1
SCHEMBL12373902 0.85 S1PR1 (0.46) S1PR1S1PR3ALDH1A1CNR1CYP2C19
SCHEMBL12373908 0.85 S1PR1 (0.48) S1PR1S1PR3ALDH1A1CNR1CYP2C19
SCHEMBL12249531 0.85 S1PR1 (0.66) S1PR1S1PR3CYP2C19
SCHEMBL12373819 0.83 S1PR1 (0.49) S1PR1S1PR3ALDH1A1SMN1; SMN2CNR1
SCHEMBL12373845 0.83 S1PR1 (0.43) S1PR1S1PR3ALDH1A1SMN1; SMN2

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 2/4885ALDH1A1 2969/4885

“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.