SCHEMBL12373747

SCHEMBL12373747

CCn1c(C(C)NS(=O)(=O)c2ccc(F)c3ccccc23)cnc1Oc1ccc(C)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.36
S1PR3 Q99500 1/20 0.36
FABP4 P15090 3/20 0.36
FEN1 P39748 4/20 0.35
ALOX5AP P20292 3/20 0.35
BCL2L1 Q07817 1/20 0.35
MCL1 Q07820 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CASP1 P29466 1/20 0.34
NPBWR1 P48145 1/20 0.34
FABP5 Q01469 1/20 0.33
SRC P12931 1/20 0.33
BTK Q06187 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PPARG P37231 1/20 0.33

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
SCHEMBL12373591 0.89 ALDH1A1 (0.38) S1PR1S1PR3FEN1ALOX5APALDH1A1
SCHEMBL12373609 0.88 S1PR1 (0.38) S1PR1S1PR3FEN1ALOX5APALDH1A1
SCHEMBL12373511 0.87 PGR (0.42) CASP1NPBWR1
SCHEMBL12373692 0.87 S1PR1 (0.40) S1PR1S1PR3FEN1ALOX5AP
SCHEMBL12373660 0.86 S1PR1 (0.42) S1PR1S1PR3
SCHEMBL12373611 0.85 KAT6A (0.40) S1PR1S1PR3SMN1; SMN2NPSR1MEN1
SCHEMBL12373584 0.85 KAT6A (0.40) S1PR1S1PR3
SCHEMBL12373639 0.85 S1PR1 (0.38) S1PR1S1PR3FEN1ALOX5APALDH1A1
SCHEMBL12373520 0.85 CASP1 (0.39) SMN1; SMN2NPSR1CASP1MEN1KMT2A
SCHEMBL12373679 0.85 S1PR1 (0.42) S1PR1S1PR3KMT2APPARG

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 2/4885FABP4 3973/4885

“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.