SCHEMBL12373488

SCHEMBL12373488

CCn1c(C(C)NS(=O)(=O)c2c(Cl)cccc2Cl)cnc1Oc1ccc(C)cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 10/20 0.39
S1PR3 Q99500 1/20 0.37
LMNA P02545 1/20 0.35
PKM P14618 1/20 0.35
NPBWR1 P48145 1/20 0.35
MCHR1 Q99705 1/20 0.35
NR3C1 P04150 1/20 0.35
PGR P06401 1/20 0.35
NR3C2 P08235 1/20 0.35
P2RX3 P56373 5/20 0.34
CCR4 P51679 1/20 0.34
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 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
SCHEMBL12373545 0.95 NR3C1 (0.39) S1PR1S1PR3NPBWR1MCHR1NR3C1
SCHEMBL12373579 0.91 S1PR1 (0.40) S1PR1S1PR3NPBWR1MCHR1NR3C1
SCHEMBL12373551 0.90 CCR4 (0.39) S1PR1S1PR3NPBWR1MCHR1NR3C1
SCHEMBL12373544 0.90 PGR (0.41) S1PR1S1PR3NR3C1PGRCCR4
SCHEMBL12373686 0.90 S1PR1 (0.37) S1PR1S1PR3NPBWR1MCHR1P2RX3
SCHEMBL12373547 0.89 PGR (0.40) S1PR1S1PR3NPBWR1MCHR1NR3C1
SCHEMBL12373631 0.88 KAT6A (0.38) S1PR1S1PR3P2RX3
SCHEMBL12373702 0.88 CCR4 (0.39) S1PR1S1PR3CCR4
SCHEMBL12373563 0.88 S1PR1 (0.35) S1PR1S1PR3P2RX3
SCHEMBL12373615 0.87 ALDH1A1 (0.44) S1PR1S1PR3LMNANPBWR1MCHR1

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 2/4885LMNA 3437/4885

“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.