SCHEMBL12373713

SCHEMBL12373713

CCn1c(C(C)NS(=O)(=O)c2sc(C)nc2C)cnc1Oc1ccc(C)cc1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.34
SLC8A1 P32418 1/20 0.34
P2RX3 P56373 12/20 0.33
PIK3CA P42336 1/20 0.32
NPY5R Q15761 1/20 0.31

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
SCHEMBL12373459 0.87 S1PR1 (0.39) S1PR1PIK3CA
SCHEMBL12373563 0.84 S1PR1 (0.35) S1PR1P2RX3
SCHEMBL12373517 0.84 S1PR1 (0.44) S1PR1
SCHEMBL12373536 0.84 TSHR (0.40) SLC8A1
SCHEMBL12373515 0.82 S1PR1 (0.36) S1PR1P2RX3
SCHEMBL12373531 0.82 FPR2 (0.40) S1PR1P2RX3
SCHEMBL12373463 0.82 MMP13 (0.41) S1PR1
SCHEMBL12373498 0.82 P2RX3 (0.35) S1PR1P2RX3
SCHEMBL12373491 0.82 PTGS1 (0.36) S1PR1P2RX3
SCHEMBL12373542 0.82 KDM4E (0.37) S1PR1P2RX3

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 1/4885SLC8A1 654/4885P2RX3 791/4885

“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.