SCHEMBL12373551

SCHEMBL12373551

CCn1c(C(C)NS(=O)(=O)c2cccc(Cl)c2C)cnc1Oc1ccc(C)cc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 1/20 0.39
NR3C1 P04150 1/20 0.39
S1PR1 P21453 5/20 0.37
HTR6 P50406 2/20 0.36
HSD11B1 P28845 7/20 0.35
S1PR3 Q99500 1/20 0.35
CASP1 P29466 1/20 0.35
SLC40A1 Q9NP59 1/20 0.35
EDNRB P24530 1/20 0.34
EDNRA P25101 1/20 0.34
NPBWR1 P48145 1/20 0.33
MCHR1 Q99705 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
SCHEMBL12373544 0.93 PGR (0.41) CCR4NR3C1S1PR1S1PR3
SCHEMBL12373547 0.93 PGR (0.40) CCR4NR3C1S1PR1S1PR3CASP1
SCHEMBL12373702 0.91 CCR4 (0.39) CCR4S1PR1HTR6S1PR3CASP1
SCHEMBL12373488 0.90 S1PR1 (0.39) CCR4NR3C1S1PR1S1PR3NPBWR1
SCHEMBL12373545 0.87 NR3C1 (0.39) NR3C1S1PR1S1PR3SLC40A1NPBWR1
SCHEMBL12373514 0.87 PGR (0.39) NR3C1S1PR1S1PR3NPBWR1MCHR1
SCHEMBL12373520 0.87 CASP1 (0.39) CASP1
SCHEMBL12373597 0.86 S1PR1 (0.40) S1PR1S1PR3NPBWR1MCHR1
SCHEMBL12373541 0.86 ALDH1A1 (0.38) NR3C1S1PR1S1PR3NPBWR1MCHR1
SCHEMBL12373501 0.86 CYP1A2 (0.41) S1PR1CASP1

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 CCR4 580/4885NR3C1 165/4885S1PR1 1/4885

“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.