SCHEMBL12373655

SCHEMBL12373655

CCn1c(C(C)NS(=O)(=O)c2c(F)cc(F)cc2Br)cnc1Oc1ccc(C)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 8/20 0.40
AGTR1 P30556 1/20 0.38
S1PR3 Q99500 1/20 0.36
NR3C1 P04150 1/20 0.33
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
P2RX3 P56373 2/20 0.32
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HTT P42858 1/20 0.31
NCOA3 Q9Y6Q9 1/20 0.31
SLC22A12 Q96S37 1/20 0.30

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
SCHEMBL12373630 0.87 S1PR1 (0.35) S1PR1S1PR3NR3C1P2RX3ALDH1A1
SCHEMBL12373554 0.87 NR3C1 (0.39) S1PR1S1PR3NR3C1P2RX3
SCHEMBL12373668 0.87 KMT2A (0.36) S1PR1S1PR3KMT2AMEN1TP53
SCHEMBL12373681 0.87 S1PR1 (0.44) S1PR1S1PR3P2RX3ALDH1A1NPSR1
SCHEMBL12373658 0.85 S1PR1 (0.41) S1PR1S1PR3TP53MAPTNPSR1
SCHEMBL12373631 0.85 KAT6A (0.38) S1PR1S1PR3P2RX3ALDH1A1SMN1; SMN2
SCHEMBL12373515 0.85 S1PR1 (0.36) S1PR1S1PR3NR3C1P2RX3ALDH1A1
SCHEMBL12373584 0.85 KAT6A (0.40) S1PR1S1PR3TP53MAPTHTT
SCHEMBL12373621 0.83 NMT1 (0.39) S1PR1S1PR3KMT2AMEN1MAPT
SCHEMBL12373563 0.83 S1PR1 (0.35) 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 S1PR1 1/4885AGTR1 54/4885S1PR3 2/4885

“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.