SCHEMBL12373541

SCHEMBL12373541

CCn1c(C(C)NS(=O)(=O)c2ccc(Cl)c(Cl)c2Cl)cnc1Oc1ccc(C)cc1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
NR3C1 P04150 1/20 0.36
S1PR1 P21453 6/20 0.36
S1PR3 Q99500 1/20 0.36
P2RX3 P56373 10/20 0.34
NPBWR1 P48145 1/20 0.34
MCHR1 Q99705 1/20 0.34
CNR1 P21554 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 0.92 PGR (0.41) NR3C1S1PR1S1PR3
SCHEMBL12373581 0.88 S1PR1 (0.41) NR3C1S1PR1S1PR3
SCHEMBL12373486 0.88 S1PR1 (0.41) ALDH1A1NR3C1S1PR1S1PR3
SCHEMBL12373547 0.88 PGR (0.40) ALDH1A1NR3C1S1PR1S1PR3P2RX3
SCHEMBL12373514 0.88 PGR (0.39) ALDH1A1NR3C1S1PR1S1PR3P2RX3
SCHEMBL12373476 0.87 NPBWR1 (0.35) ALDH1A1S1PR1S1PR3P2RX3NPBWR1
SCHEMBL12373589 0.86 S1PR1 (0.40) ALDH1A1S1PR1S1PR3P2RX3CNR1
SCHEMBL12373684 0.86 S1PR1 (0.36) S1PR1S1PR3P2RX3NPBWR1MCHR1
SCHEMBL12373551 0.86 CCR4 (0.39) NR3C1S1PR1S1PR3NPBWR1MCHR1
SCHEMBL12373484 0.86 NR3C1 (0.38) ALDH1A1NR3C1S1PR1S1PR3P2RX3

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 ALDH1A1 2969/4885NR3C1 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.