SCHEMBL12373521

SCHEMBL12373521

CCn1c(C(C)NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cnc1Oc1ccc(C)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 10/20 0.45
FFAR4 Q5NUL3 1/20 0.40
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
S1PR3 Q99500 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
TP53 P04637 1/20 0.38
NPY5R Q15761 1/20 0.38
NPBWR1 P48145 1/20 0.37
MCHR1 Q99705 1/20 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
SCHEMBL12373517 0.92 S1PR1 (0.44) S1PR1ALDH1A1S1PR3CA1CA2
SCHEMBL12373526 0.91 S1PR1 (0.54) S1PR1ALDH1A1SMN1; SMN2
SCHEMBL12373495 0.89 S1PR1 (0.43) S1PR1SMN1; SMN2S1PR3CA2CNR1
SCHEMBL12373493 0.89 S1PR1 (0.41) S1PR1ALDH1A1S1PR3CA2NPBWR1
SCHEMBL4119410 0.89 CNR1 (0.47) S1PR1ALDH1A1S1PR3CA2CNR1
SCHEMBL12373649 0.89 S1PR1 (0.42) S1PR1S1PR3CA1CA2CNR1
SCHEMBL12373499 0.88 S1PR1 (0.41) S1PR1S1PR3CA1CA2CNR1
SCHEMBL12373577 0.88 FFAR1 (0.47) S1PR1ALDH1A1SMN1; SMN2
SCHEMBL12373463 0.88 MMP13 (0.41) S1PR1ALDH1A1SMN1; SMN2CNR1
SCHEMBL12373467 0.88 S1PR1 (0.46) S1PR1ALDH1A1SMN1; SMN2CA1CA2

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 1/4885FFAR4 567/4885BCHE 4703/4885

“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.