SCHEMBL2277665

SCHEMBL2277665

CCn1c(C(C)NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cnc1Oc1cccc(N2CCN(C)CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.42
S1PR3 Q99500 1/20 0.42
GUSB P08236 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTR7 P34969 8/20 0.40
BRD4 O60885 1/20 0.40
HTR2C P28335 5/20 0.38
HTR2A P28223 4/20 0.38
HTR1A P08908 3/20 0.38
HTR6 P50406 3/20 0.38
DRD3 P35462 1/20 0.38
EGFR P00533 3/20 0.37
NUAK1 O60285 1/20 0.36
NUAK2 Q9H093 1/20 0.36
CNR1 P21554 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
SCHEMBL12373935 0.93 GUSB (0.40) S1PR1S1PR3GUSBSMN1; SMN2HTR7
SCHEMBL12373827 0.93 S1PR1 (0.42) S1PR1S1PR3GUSBSMN1; SMN2HTR7
SCHEMBL12373795 0.91 S1PR1 (0.49) S1PR1S1PR3GUSBSMN1; SMN2HTR7
SCHEMBL12373942 0.90 GUSB (0.44) S1PR1S1PR3GUSBSMN1; SMN2HTR7
SCHEMBL12373788 0.90 HTR6 (0.46) S1PR1S1PR3GUSBSMN1; SMN2HTR7
SCHEMBL12373925 0.89 HTR7 (0.45) S1PR1GUSBSMN1; SMN2HTR7BRD4
SCHEMBL12373927 0.88 BRD4 (0.41) SMN1; SMN2HTR7BRD4HTR2CHTR2A
SCHEMBL12373920 0.88 HTR2C (0.43) HTR7BRD4HTR2CHTR2AHTR1A
SCHEMBL12373825 0.88 SCN9A (0.43) S1PR1S1PR3CNR1
SCHEMBL2389913 0.87 S1PR1 (0.57) S1PR1S1PR3GUSBSMN1; SMN2HTR7

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1988081-B1 BINDING INHIBITOR OF SPHINGOSINE-1-PHOSPHATE TAISHO PHARMACEUTICAL CO LTD (JP) 2012-10-17 EP disclosed
EP-1988081-B1 BINDING INHIBITOR OF SPHINGOSINE-1-PHOSPHATE TAISHO PHARMACEUTICAL CO LTD (JP) 2012-10-17 EP disclosed
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-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
US-20090182144-A1 BINDING INHIBITOR OF SPHINGOSINE-1-PHOSPHATE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-07-16 US disclosed
EP-1988081-A1 BINDING INHIBITOR OF SPHINGOSINE-1-PHOSPHATE TAISHO PHARMACEUTICAL CO., LTD (JP) 2008-11-05 EP disclosed
EP-1988081-A1 BINDING INHIBITOR OF SPHINGOSINE-1-PHOSPHATE TAISHO PHARMACEUTICAL CO., LTD (JP) 2008-11-05 EP 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 2/4885GUSB 4631/4885

“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.