SCHEMBL12373547

SCHEMBL12373547

CCn1c(C(C)NS(=O)(=O)c2ccccc2Cl)cnc1Oc1ccc(C)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.40
CASP1 P29466 1/20 0.38
S1PR1 P21453 6/20 0.36
S1PR3 Q99500 1/20 0.36
NR3C1 P04150 1/20 0.36
P2RX3 P56373 1/20 0.35
CCR4 P51679 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
SLC1A1 P43005 1/20 0.34
NPBWR1 P48145 3/20 0.34
MCHR1 Q99705 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL12373544 0.93 PGR (0.41) PGRS1PR1S1PR3NR3C1CCR4
SCHEMBL12373551 0.93 CCR4 (0.39) CASP1S1PR1S1PR3NR3C1CCR4
SCHEMBL12373702 0.91 CCR4 (0.39) CASP1S1PR1S1PR3CCR4
SCHEMBL12373520 0.90 CASP1 (0.39) CASP1P2RX3MEN1KMT2ASLC1A3
SCHEMBL12373488 0.89 S1PR1 (0.39) PGRS1PR1S1PR3NR3C1P2RX3
SCHEMBL12373501 0.89 CYP1A2 (0.41) CASP1S1PR1P2RX3MEN1KMT2A
SCHEMBL12373581 0.89 S1PR1 (0.41) S1PR1S1PR3NR3C1CCR4PTGDR2
SCHEMBL12373486 0.89 S1PR1 (0.41) S1PR1S1PR3NR3C1CCR4MEN1
SCHEMBL12373466 0.89 POLB (0.40) CASP1P2RX3MEN1KMT2AALDH1A1
SCHEMBL12373591 0.89 ALDH1A1 (0.38) CASP1S1PR1S1PR3MEN1KMT2A

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 PGR 1817/4885CASP1 1552/4885S1PR1 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.