SCHEMBL12373623

SCHEMBL12373623

CCn1c(C(C)NS(=O)(=O)c2cc(F)c(Cl)cc2F)cnc1Oc1ccc(C)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 9/20 0.44
S1PR3 Q99500 1/20 0.44
SCN9A Q15858 2/20 0.35
SCN1A P35498 2/20 0.33
SCN5A Q14524 2/20 0.33
SCN8A Q9UQD0 2/20 0.33
NR1I2 O75469 1/20 0.33
SCN1B Q07699 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KAT6A Q92794 2/20 0.33
NPBWR1 P48145 1/20 0.32
MCHR1 Q99705 1/20 0.32
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
P2RX3 P56373 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
SCHEMBL12373616 0.94 S1PR1 (0.42) S1PR1S1PR3SCN9AALDH1A1SMN1; SMN2
SCHEMBL12373639 0.93 S1PR1 (0.38) S1PR1S1PR3ALDH1A1SMN1; SMN2KAT6A
SCHEMBL12373679 0.90 S1PR1 (0.42) S1PR1S1PR3KAT6A
SCHEMBL12373660 0.89 S1PR1 (0.42) S1PR1S1PR3SCN9A
SCHEMBL12373554 0.89 NR3C1 (0.39) S1PR1S1PR3KAT6AALOX5APFEN1
SCHEMBL12373692 0.89 S1PR1 (0.40) S1PR1S1PR3KAT6AALOX5APFEN1
SCHEMBL12373550 0.88 S1PR1 (0.59) S1PR1S1PR3ALDH1A1SMN1; SMN2
SCHEMBL12373589 0.88 S1PR1 (0.40) S1PR1S1PR3ALDH1A1P2RX3
SCHEMBL12373584 0.87 KAT6A (0.40) S1PR1S1PR3KAT6A
SCHEMBL12373611 0.87 KAT6A (0.40) S1PR1S1PR3SMN1; SMN2KAT6AP2RX3

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 2/4885SCN9A 2604/4885

“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.