SCHEMBL12373628

SCHEMBL12373628

CCn1c(C(C)NS(=O)(=O)c2cc(C)c(Cl)cc2Cl)cnc1Oc1ccc(C)cc1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 7/20 0.37
S1PR3 Q99500 1/20 0.37
CYP3A4 P08684 1/20 0.35
PPARG P37231 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
P2RX3 P56373 1/20 0.34
NPBWR1 P48145 1/20 0.33
MCHR1 Q99705 1/20 0.33
PGR P06401 1/20 0.33
NR3C1 P04150 1/20 0.33
CNR1 P21554 1/20 0.33

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
SCHEMBL12373484 0.94 NR3C1 (0.38) S1PR1S1PR3ALDH1A1MEN1KMT2A
SCHEMBL12373514 0.94 PGR (0.39) S1PR1S1PR3ALDH1A1MEN1KMT2A
SCHEMBL12373616 0.90 S1PR1 (0.42) S1PR1S1PR3ALDH1A1MEN1KMT2A
SCHEMBL12373581 0.89 S1PR1 (0.41) S1PR1S1PR3CYP3A4PPARGNR3C1
SCHEMBL12373486 0.89 S1PR1 (0.41) S1PR1S1PR3L3MBTL1ALDH1A1MEN1
SCHEMBL12373684 0.87 S1PR1 (0.36) S1PR1S1PR3CYP3A4PPARGMEN1
SCHEMBL12373589 0.87 S1PR1 (0.40) S1PR1S1PR3ALDH1A1P2RX3CNR1
SCHEMBL12373481 0.87 S1PR1 (0.47) S1PR1S1PR3ALDH1A1KMT2ACNR1
SCHEMBL12373547 0.87 PGR (0.40) S1PR1S1PR3ALDH1A1MEN1KMT2A
SCHEMBL12373527 0.87 ALDH1A1 (0.43) L3MBTL1ALDH1A1MEN1KMT2A

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 1/4885S1PR3 2/4885CYP3A4 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.