SCHEMBL12373538

SCHEMBL12373538

CCn1c(C(C)NS(=O)(=O)c2ccccc2C(F)(F)F)cnc1Oc1ccc(C)cc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 7/20 0.40
AXL P30530 2/20 0.39
S1PR1 P21453 5/20 0.38
MMP7 P09237 1/20 0.38
PTGDR2 Q9Y5Y4 2/20 0.37
CASP1 P29466 1/20 0.37
ADAMTS4 O75173 1/20 0.36
MMP13 P45452 1/20 0.36
CYP2C9 P11712 1/20 0.36
SLC22A6 Q4U2R8 1/20 0.36
SLC22A8 Q8TCC7 1/20 0.36
SLC22A11 Q9NSA0 1/20 0.36

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
SCHEMBL12373759 0.89 S1PR1 (0.46) S1PR1
SCHEMBL12373694 0.89 S1PR1 (0.39) S1PR1
SCHEMBL12373591 0.88 ALDH1A1 (0.38) S1PR1CASP1CYP2C9
SCHEMBL12373762 0.88 S1PR1 (0.38) S1PR1ADAMTS4
SCHEMBL12373520 0.88 CASP1 (0.39) CASP1CYP2C9
SCHEMBL12373573 0.88 CASP1 (0.41) AXLS1PR1CASP1
SCHEMBL12373501 0.87 CYP1A2 (0.41) S1PR1CASP1MMP13CYP2C9
SCHEMBL12373547 0.86 PGR (0.40) S1PR1PTGDR2CASP1
SCHEMBL12373466 0.86 POLB (0.40) CASP1MMP13CYP2C9
SCHEMBL12373704 0.86 CASP1 (0.45) CASP1

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 SLC22A12 3087/4885AXL 2716/4885S1PR1 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.