SCHEMBL12373952

SCHEMBL12373952

CCn1c(C(C)NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cnc1OCCCN1CCN(C)CC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.43
S1PR3 Q99500 1/20 0.43
SIGMAR1 Q99720 3/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTR7 P34969 7/20 0.39
KDM2B Q8NHM5 1/20 0.38
HTR2A P28223 6/20 0.38
HTR6 P50406 6/20 0.38
DRD2 P14416 4/20 0.38
CCR1 P32246 1/20 0.38
AXL P30530 1/20 0.37
HTR1A P08908 1/20 0.37
HTR2C P28335 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 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
SCHEMBL12373869 0.92 SMN1; SMN2 (0.44) S1PR1S1PR3SIGMAR1KDM4EALDH1A1
SCHEMBL12373858 0.86 S1PR1 (0.48) S1PR1S1PR3KMT2A
SCHEMBL12373908 0.86 S1PR1 (0.48) S1PR1S1PR3ALDH1A1KMT2A
SCHEMBL12373902 0.86 S1PR1 (0.46) S1PR1S1PR3ALDH1A1KMT2A
SCHEMBL12373851 0.84 S1PR1 (0.50) S1PR1S1PR3ALDH1A1KMT2A
SCHEMBL12373901 0.83 S1PR1 (0.44) S1PR1S1PR3KMT2A
SCHEMBL12373863 0.83 S1PR1 (0.44) S1PR1S1PR3KMT2A
SCHEMBL12373892 0.82 S1PR1 (0.44) S1PR1S1PR3ALDH1A1KMT2A
SCHEMBL12373856 0.82 S1PR1 (0.50) S1PR1S1PR3ALDH1A1KMT2A
SCHEMBL12373910 0.82 S1PR1 (0.57) S1PR1S1PR3ALDH1A1KMT2A

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 2/4885SIGMAR1 243/4885

“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.