SCHEMBL12373631

SCHEMBL12373631

CCn1c(C(C)NS(=O)(=O)c2c(F)cccc2F)cnc1Oc1ccc(C)cc1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 2/20 0.38
S1PR1 P21453 6/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
S1PR3 Q99500 1/20 0.37
P2RX3 P56373 8/20 0.33
SRC P12931 1/20 0.33
BTK Q06187 1/20 0.33
APLNR P35414 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
SCHEMBL12373515 0.90 S1PR1 (0.36) S1PR1ALDH1A1SMN1; SMN2NPSR1S1PR3
SCHEMBL12373591 0.89 ALDH1A1 (0.38) KAT6AS1PR1ALDH1A1SMN1; SMN2NPSR1
SCHEMBL12373488 0.88 S1PR1 (0.39) S1PR1S1PR3P2RX3
SCHEMBL12373563 0.88 S1PR1 (0.35) S1PR1S1PR3P2RX3
SCHEMBL12373463 0.86 MMP13 (0.41) S1PR1ALDH1A1SMN1; SMN2
SCHEMBL12373634 0.86 PGR (0.41) S1PR1NPSR1S1PR3
SCHEMBL12373545 0.86 NR3C1 (0.39) S1PR1S1PR3P2RX3
SCHEMBL12373517 0.86 S1PR1 (0.44) S1PR1ALDH1A1S1PR3
SCHEMBL12373662 0.85 S1PR1 (0.42) S1PR1ALDH1A1SMN1; SMN2NPSR1S1PR3
SCHEMBL12373692 0.85 S1PR1 (0.40) KAT6AS1PR1S1PR3P2RX3

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 KAT6A 4593/4885S1PR1 1/4885ALDH1A1 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.