SCHEMBL12373542

SCHEMBL12373542

CCn1c(C(C)NS(=O)(=O)c2c(C)c(C)cc(C)c2C)cnc1Oc1ccc(C)cc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
S1PR1 P21453 5/20 0.35
NR3C1 P04150 6/20 0.34
PGR P06401 3/20 0.34
NR3C2 P08235 3/20 0.34
GCK P35557 1/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
S1PR3 Q99500 1/20 0.34
P2RX3 P56373 1/20 0.34
CNR1 P21554 1/20 0.33
POLB P06746 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL12373563 0.93 S1PR1 (0.35) S1PR1GCKS1PR3P2RX3CNR1
SCHEMBL12373557 0.88 NMT1 (0.40) S1PR1NR3C1PGRNR3C2
SCHEMBL12373515 0.87 S1PR1 (0.36) S1PR1NR3C1PGRNR3C2S1PR3
SCHEMBL12373517 0.86 S1PR1 (0.44) S1PR1KMT2AS1PR3CNR1
SCHEMBL12373579 0.86 S1PR1 (0.40) S1PR1NR3C1PGRNR3C2KMT2A
SCHEMBL12373527 0.86 ALDH1A1 (0.43) KMT2AMEN1L3MBTL1
SCHEMBL12373637 0.86 NR3C1 (0.41) S1PR1NR3C1PGRNR3C2S1PR3
SCHEMBL12373648 0.86 S1PR1 (0.40) S1PR1S1PR3P2RX3CNR1
SCHEMBL12373516 0.85 BTK (0.37) S1PR1NR3C1CNR1
SCHEMBL12373631 0.85 KAT6A (0.38) S1PR1S1PR3P2RX3

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 KDM4E 2845/4885S1PR1 1/4885NR3C1 165/4885

“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.