SCHEMBL12373573

SCHEMBL12373573

CCn1c(C(C)NS(=O)(=O)c2ccccc2OC(F)(F)F)cnc1Oc1ccc(C)cc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 7/20 0.41
MRGPRX1 Q96LB2 1/20 0.41
CNR2 P34972 2/20 0.41
ALPL P05186 1/20 0.38
AXL P30530 1/20 0.37
KDM2B Q8NHM5 1/20 0.37
PTGER4 P35408 1/20 0.37
TRPV4 Q9HBA0 1/20 0.36
SLC40A1 Q9NP59 1/20 0.36
S1PR1 P21453 2/20 0.35
BRD4 O60885 1/20 0.34

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
SCHEMBL12373704 0.90 CASP1 (0.45) CASP1MRGPRX1ALPL
SCHEMBL12373471 0.88 ALPL (0.41) ALPLS1PR1
SCHEMBL12373538 0.88 SLC22A12 (0.40) CASP1AXLS1PR1
SCHEMBL12373591 0.86 ALDH1A1 (0.38) CASP1S1PR1
SCHEMBL12373520 0.86 CASP1 (0.39) CASP1
SCHEMBL12373521 0.85 S1PR1 (0.45) S1PR1
SCHEMBL12373501 0.85 CYP1A2 (0.41) CASP1S1PR1
SCHEMBL12373466 0.84 POLB (0.40) CASP1
SCHEMBL12373547 0.84 PGR (0.40) CASP1S1PR1
SCHEMBL12373463 0.83 MMP13 (0.41) S1PR1

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 CASP1 1552/4885MRGPRX1 56/4885CNR2 58/4885

“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.