SCHEMBL12373795

SCHEMBL12373795

CCn1c(C(C)NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cnc1Oc1cccc(N2CCOCC2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.43
S1PR3 Q99500 1/20 0.41
BRD4 O60885 2/20 0.41
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP3 P08254 1/20 0.40
MMP13 P45452 1/20 0.40
GUSB P08236 2/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
ALDH1A1 P00352 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
HTR7 P34969 1/20 0.36
MMP12 P39900 1/20 0.36
ALOX12 P18054 1/20 0.36

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
SCHEMBL12373827 0.92 S1PR1 (0.42) S1PR1SMN1; SMN2S1PR3GUSBALDH1A1
SCHEMBL2277665 0.91 S1PR1 (0.42) S1PR1SMN1; SMN2S1PR3BRD4GUSB
SCHEMBL12160877 0.87 S1PR1 (0.56) S1PR1SMN1; SMN2S1PR3BRD4MMP1
SCHEMBL2278598 0.86 S1PR1 (0.44) S1PR1S1PR3ALDH1A1CNR1
SCHEMBL2279140 0.86 S1PR1 (0.47) S1PR1S1PR3CYP2D6CNR1
SCHEMBL12373819 0.86 S1PR1 (0.49) S1PR1SMN1; SMN2S1PR3ALDH1A1CYP3A4
SCHEMBL12373935 0.85 GUSB (0.40) S1PR1SMN1; SMN2S1PR3BRD4GUSB
SCHEMBL12373841 0.84 ALDH1A1 (0.46) S1PR1SMN1; SMN2S1PR3MMP1MMP13
SCHEMBL12373808 0.83 S1PR1 (0.44) S1PR1S1PR3CNR1
SCHEMBL12373831 0.83 S1PR1 (0.41) S1PR1S1PR3CYP2D6CNR1

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 1/4885SMN1; SMN2 3091/4885S1PR3 2/4885

“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.