SCHEMBL12373812

SCHEMBL12373812

CCn1c(C(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c2ccccc2)cnc1Oc1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.43
S1PR3 Q99500 1/20 0.43
PGR P06401 1/20 0.41
SCN8A Q9UQD0 1/20 0.39
CNR1 P21554 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
CCR2 P41597 5/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
CCR4 P51679 1/20 0.37
CCR5 P51681 1/20 0.37
GNRHR P30968 1/20 0.37
PTGES2 Q9H7Z7 1/20 0.36
BCL2L1 Q07817 1/20 0.36
MCL1 Q07820 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL12373815 0.89 S1PR1 (0.38) S1PR1S1PR3SCN8ANPSR1CYP1A2
SCHEMBL12373790 0.88 S1PR1 (0.52) S1PR1S1PR3PGRCNR1CCR2
SCHEMBL2275493 0.87 S1PR1 (0.44) S1PR1S1PR3PGRCNR1NPSR1
SCHEMBL2276391 0.87 S1PR1 (0.44) S1PR1S1PR3PGRCNR1NPSR1
SCHEMBL2274455 0.87 S1PR1 (0.44) S1PR1S1PR3PGRCNR1NPSR1
SCHEMBL12373799 0.86 NPSR1 (0.49) S1PR1S1PR3PGRNPSR1GNRHR
SCHEMBL12373854 0.86 S1PR1 (0.46) S1PR1S1PR3PGRCNR1NPSR1
SCHEMBL12373809 0.84 S1PR1 (0.49) S1PR1S1PR3PGRCNR1NPSR1
SCHEMBL12373819 0.83 S1PR1 (0.49) S1PR1S1PR3PGRCNR1CCR2
SCHEMBL12373821 0.82 S1PR1 (0.53) S1PR1S1PR3NPSR1

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 2/4885PGR 1817/4885

“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.