SCHEMBL12373825

SCHEMBL12373825

CCn1c(C(C)NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cnc1Oc1cccc(C2CCN(C)CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.43
DRD2 P14416 3/20 0.41
ADRA1A P35348 1/20 0.41
S1PR1 P21453 3/20 0.41
S1PR3 Q99500 1/20 0.41
USP5 P45974 1/20 0.37
PTGDR Q13258 1/20 0.37
CCR8 P51685 3/20 0.36
CCR2 P41597 2/20 0.35
CNR1 P21554 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL2277665 0.88 S1PR1 (0.42) S1PR1S1PR3CNR1
SCHEMBL12373819 0.85 S1PR1 (0.49) S1PR1S1PR3CCR2CNR1ALDH1A1
SCHEMBL2279140 0.84 S1PR1 (0.47) S1PR1S1PR3CCR2CNR1KMT2A
SCHEMBL12373827 0.83 S1PR1 (0.42) S1PR1S1PR3PTGDRCCR2CNR1
SCHEMBL2278598 0.82 S1PR1 (0.44) S1PR1S1PR3CCR2CNR1ALDH1A1
SCHEMBL12373808 0.82 S1PR1 (0.44) S1PR1S1PR3CCR2CNR1
SCHEMBL12373795 0.82 S1PR1 (0.49) S1PR1S1PR3CNR1ALDH1A1
SCHEMBL2280663 0.82 S1PR1 (0.43) S1PR1S1PR3CCR2CNR1ALDH1A1
SCHEMBL12373822 0.81 S1PR1 (0.46) S1PR1S1PR3CNR1
SCHEMBL12373935 0.81 GUSB (0.40) S1PR1S1PR3ALDH1A1MAPK1

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 SCN9A 2604/4885DRD2 924/4885ADRA1A 136/4885

“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.