SCHEMBL12373581

SCHEMBL12373581

CCn1c(C(C)NS(=O)(=O)c2ccc(Cl)cc2Cl)cnc1Oc1ccc(C)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 6/20 0.41
PPARG P37231 4/20 0.40
CYP3A4 P08684 1/20 0.39
S1PR3 Q99500 1/20 0.39
SLC40A1 Q9NP59 1/20 0.39
TRPV4 Q9HBA0 4/20 0.38
PTGDR Q13258 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
NR3C1 P04150 1/20 0.37
NR3C2 P08235 1/20 0.37
CCR4 P51679 1/20 0.37
CNR2 P34972 1/20 0.36
HTR2A P28223 1/20 0.35
SLC6A4 P31645 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL12373486 0.93 S1PR1 (0.41) S1PR1S1PR3NR3C1CCR4HTR2A
SCHEMBL12373589 0.91 S1PR1 (0.40) S1PR1S1PR3
SCHEMBL12373660 0.91 S1PR1 (0.42) S1PR1S1PR3SLC40A1CNR2
SCHEMBL12373684 0.91 S1PR1 (0.36) S1PR1PPARGCYP3A4S1PR3CCR4
SCHEMBL12373514 0.91 PGR (0.39) S1PR1S1PR3NR3C1NR3C2
SCHEMBL12373679 0.90 S1PR1 (0.42) S1PR1PPARGS1PR3HTR2ASLC6A4
SCHEMBL12373638 0.89 LMNA (0.46) S1PR1
SCHEMBL12373628 0.89 S1PR1 (0.37) S1PR1PPARGCYP3A4S1PR3NR3C1
SCHEMBL12373547 0.89 PGR (0.40) S1PR1S1PR3PTGDR2NR3C1CCR4
SCHEMBL12373579 0.89 S1PR1 (0.40) S1PR1S1PR3NR3C1NR3C2

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 1/4885PPARG 3944/4885CYP3A4 3578/4885

“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.