SCHEMBL2276391

SCHEMBL2276391

CC[C@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)c1cnc(Oc2ccc(F)cc2)n1CC

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.44
S1PR3 Q99500 1/20 0.44
NPSR1 Q6W5P4 2/20 0.41
PGR P06401 1/20 0.39
CNR1 P21554 1/20 0.38
SLC22A12 Q96S37 4/20 0.38
CCR2 P41597 3/20 0.37
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PTGES2 Q9H7Z7 1/20 0.36
BCL2L1 Q07817 1/20 0.36
MCL1 Q07820 1/20 0.36
LMNA P02545 1/20 0.36
RAB9A P51151 1/20 0.36
CCR1 P32246 1/20 0.35
CCR4 P51679 1/20 0.35

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
SCHEMBL2274455 1.00 S1PR1 (0.44) S1PR1S1PR3NPSR1PGRCNR1
SCHEMBL2275493 1.00 S1PR1 (0.44) S1PR1S1PR3NPSR1PGRCNR1
SCHEMBL12373809 0.92 S1PR1 (0.49) S1PR1S1PR3NPSR1PGRCNR1
SCHEMBL12373799 0.91 NPSR1 (0.49) S1PR1S1PR3NPSR1PGRPTGES2
SCHEMBL12373790 0.90 S1PR1 (0.52) S1PR1S1PR3PGRCNR1SLC22A12
SCHEMBL12373821 0.90 S1PR1 (0.53) S1PR1S1PR3NPSR1
SCHEMBL12373852 0.90 S1PR1 (0.41) S1PR1S1PR3NPSR1PGRCNR1
SCHEMBL12373804 0.89 S1PR1 (0.48) S1PR1S1PR3NPSR1PGRSLC22A12
SCHEMBL12373854 0.88 S1PR1 (0.46) S1PR1S1PR3NPSR1PGRCNR1
SCHEMBL12373797 0.87 NPSR1 (0.41) S1PR1S1PR3NPSR1ALDH1A1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1988081-B1 BINDING INHIBITOR OF SPHINGOSINE-1-PHOSPHATE TAISHO PHARMACEUTICAL CO LTD (JP) 2012-10-17 EP disclosed
EP-1988081-B1 BINDING INHIBITOR OF SPHINGOSINE-1-PHOSPHATE TAISHO PHARMACEUTICAL CO LTD (JP) 2012-10-17 EP disclosed
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-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
US-20090182144-A1 BINDING INHIBITOR OF SPHINGOSINE-1-PHOSPHATE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-07-16 US disclosed
EP-1988081-A1 BINDING INHIBITOR OF SPHINGOSINE-1-PHOSPHATE TAISHO PHARMACEUTICAL CO., LTD (JP) 2008-11-05 EP disclosed
EP-1988081-A1 BINDING INHIBITOR OF SPHINGOSINE-1-PHOSPHATE TAISHO PHARMACEUTICAL CO., LTD (JP) 2008-11-05 EP 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 2/4885NPSR1 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.