SCHEMBL12373591

SCHEMBL12373591

CCn1c(C(C)NS(=O)(=O)c2ccccc2F)cnc1Oc1ccc(C)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CASP1 P29466 1/20 0.38
KAT6A Q92794 8/20 0.38
FEN1 P39748 4/20 0.37
ALOX5AP P20292 3/20 0.37
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
TP53 P04637 1/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
GAA P10253 1/20 0.36
CYP2C9 P11712 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL12373692 0.90 S1PR1 (0.40) KAT6AFEN1ALOX5APS1PR1S1PR3
SCHEMBL12373520 0.90 CASP1 (0.39) SMN1; SMN2NPSR1CASP1MEN1CYP1A2
SCHEMBL12373631 0.89 KAT6A (0.38) ALDH1A1SMN1; SMN2NPSR1KAT6AS1PR1
SCHEMBL12373501 0.89 CYP1A2 (0.41) ALDH1A1SMN1; SMN2NPSR1CASP1S1PR1
SCHEMBL12373747 0.89 S1PR1 (0.36) ALDH1A1SMN1; SMN2NPSR1CASP1FEN1
SCHEMBL12373584 0.89 KAT6A (0.40) KAT6AS1PR1S1PR3TP53
SCHEMBL12373611 0.89 KAT6A (0.40) SMN1; SMN2NPSR1KAT6AS1PR1S1PR3
SCHEMBL12373466 0.89 POLB (0.40) ALDH1A1SMN1; SMN2NPSR1CASP1MEN1
SCHEMBL12373547 0.89 PGR (0.40) ALDH1A1CASP1S1PR1S1PR3MEN1
SCHEMBL12373639 0.89 S1PR1 (0.38) ALDH1A1SMN1; SMN2NPSR1KAT6AFEN1

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 ALDH1A1 2969/4885SMN1; SMN2 3091/4885NPSR1 110/4885

“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.