SCHEMBL12373822

SCHEMBL12373822

CCn1c(C(C)NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cnc1Oc1ccc2ccccc2c1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 12/20 0.46
S1PR3 Q99500 1/20 0.46
CNR1 P21554 1/20 0.42
CYSLTR1 Q9Y271 1/20 0.41
PGR P06401 1/20 0.40
PTGER3 P43115 1/20 0.39
NR3C1 P04150 1/20 0.38
PPARG P37231 1/20 0.38
PTGES2 Q9H7Z7 1/20 0.38
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL12373819 0.92 S1PR1 (0.49) S1PR1S1PR3CNR1PGRNR3C1
SCHEMBL12373835 0.91 S1PR1 (0.43) S1PR1S1PR3CNR1CYP2D6CYP2C19
SCHEMBL2279361 0.89 S1PR1 (0.51) S1PR1S1PR3CNR1CYP2D6CYP2C19
SCHEMBL12373817 0.89 CNR1 (0.51) S1PR1S1PR3CNR1PGR
SCHEMBL12373849 0.88 S1PR1 (0.47) S1PR1S1PR3CNR1PGRCYP2D6
SCHEMBL2278141 0.88 S1PR1 (0.48) S1PR1S1PR3CNR1PGRCYP2D6
SCHEMBL12373790 0.87 S1PR1 (0.52) S1PR1S1PR3CNR1PGR
SCHEMBL12373842 0.87 S1PR1 (0.47) S1PR1S1PR3CNR1CYP2D6CYP2C19
SCHEMBL2279119 0.87 S1PR1 (0.43) S1PR1S1PR3CNR1NR3C1CYP2D6
SCHEMBL2279140 0.87 S1PR1 (0.47) S1PR1S1PR3CNR1PGRPTGES2

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 2/4885CNR1 17/4885

“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.