SCHEMBL12373471

SCHEMBL12373471

CCn1c(C(C)NS(=O)(=O)c2ccc(Br)cc2OC(F)(F)F)cnc1Oc1ccc(C)cc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALPL P05186 3/20 0.41
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
RRM1 P23921 1/20 0.39
RRM2B Q7LG56 1/20 0.39
PPARG P37231 2/20 0.39
MCHR1 Q99705 10/20 0.36
ADRA2A P08913 9/20 0.36
NPY5R Q15761 9/20 0.36
S1PR1 P21453 2/20 0.35
DDR1 Q08345 2/20 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
SCHEMBL12373762 0.88 S1PR1 (0.38) PPARGS1PR1
SCHEMBL12373573 0.88 CASP1 (0.41) ALPLS1PR1
SCHEMBL12373621 0.87 NMT1 (0.39) PPARGS1PR1
SCHEMBL12373601 0.87 CNR1 (0.35) S1PR1
SCHEMBL12373646 0.87 CNR1 (0.35) S1PR1
SCHEMBL12373603 0.87 CA1 (0.40) S1PR1
SCHEMBL12373560 0.85 SMN1; SMN2 (0.47) ALPL
SCHEMBL12373684 0.85 S1PR1 (0.36) PPARGMCHR1S1PR1
SCHEMBL12373642 0.85 MEN1 (0.41) S1PR1
SCHEMBL12373674 0.83 S1PR1 (0.45) 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 ALPL 4816/4885CHRM2 559/4885CHRM1 272/4885

“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.