SCHEMBL12373684

SCHEMBL12373684

CCn1c(C(C)NS(=O)(=O)c2ccc(Br)cc2Cl)cnc1Oc1ccc(C)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 6/20 0.36
S1PR3 Q99500 1/20 0.36
PPARG P37231 1/20 0.36
CNR1 P21554 1/20 0.34
P2RX3 P56373 3/20 0.33
NPBWR1 P48145 1/20 0.32
MCHR1 Q99705 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL12373581 0.91 S1PR1 (0.41) S1PR1S1PR3PPARGCYP3A4CCR4
SCHEMBL12373601 0.91 CNR1 (0.35) S1PR1S1PR3CNR1CA1CA2
SCHEMBL12373603 0.91 CA1 (0.40) S1PR1S1PR3CNR1P2RX3CA1
SCHEMBL12373646 0.91 CNR1 (0.35) S1PR1S1PR3CNR1P2RX3CA1
SCHEMBL12373589 0.89 S1PR1 (0.40) S1PR1S1PR3CNR1P2RX3MAPT
SCHEMBL12373621 0.89 NMT1 (0.39) S1PR1S1PR3PPARGCNR1CA1
SCHEMBL12373642 0.89 MEN1 (0.41) S1PR1S1PR3CNR1P2RX3KMT2A
SCHEMBL12373686 0.89 S1PR1 (0.37) S1PR1S1PR3P2RX3NPBWR1MCHR1
SCHEMBL12373514 0.89 PGR (0.39) S1PR1S1PR3CNR1P2RX3NPBWR1
SCHEMBL12373560 0.88 SMN1; SMN2 (0.47) KMT2ASMN1; SMN2HTTGLA

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 2/4885PPARG 3944/4885

“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.