SCHEMBL12373616

SCHEMBL12373616

CCn1c(C(C)NS(=O)(=O)c2cc(F)c(F)cc2Cl)cnc1Oc1ccc(C)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 9/20 0.42
S1PR3 Q99500 1/20 0.42
ALDH1A1 P00352 4/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPBWR1 P48145 1/20 0.33
MCHR1 Q99705 1/20 0.33
ALOX5AP P20292 2/20 0.33
LMNA P02545 2/20 0.33
FEN1 P39748 1/20 0.33
P2RX3 P56373 1/20 0.33
CNR1 P21554 1/20 0.32
SCN9A Q15858 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL12373623 0.94 S1PR1 (0.44) S1PR1S1PR3ALDH1A1SMN1; SMN2NPBWR1
SCHEMBL12373639 0.92 S1PR1 (0.38) S1PR1S1PR3ALDH1A1SMN1; SMN2ALOX5AP
SCHEMBL12373514 0.92 PGR (0.39) S1PR1S1PR3ALDH1A1SMN1; SMN2NPBWR1
SCHEMBL12373589 0.90 S1PR1 (0.40) S1PR1S1PR3ALDH1A1P2RX3CNR1
SCHEMBL12373628 0.90 S1PR1 (0.37) S1PR1S1PR3ALDH1A1NPBWR1MCHR1
SCHEMBL12373679 0.89 S1PR1 (0.42) S1PR1S1PR3KMT2A
SCHEMBL12373660 0.88 S1PR1 (0.42) S1PR1S1PR3SCN9A
SCHEMBL12373581 0.88 S1PR1 (0.41) S1PR1S1PR3
SCHEMBL12373486 0.88 S1PR1 (0.41) S1PR1S1PR3ALDH1A1SMN1; SMN2LMNA
SCHEMBL12373692 0.88 S1PR1 (0.40) S1PR1S1PR3ALOX5APFEN1P2RX3

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.