SCHEMBL12373869

SCHEMBL12373869

CCn1c(C(C)NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cnc1OCCCN1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 2/20 0.43
S1PR1 P21453 2/20 0.42
S1PR3 Q99500 1/20 0.42
SIGMAR1 Q99720 4/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39

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
SCHEMBL12373952 0.92 S1PR1 (0.43) SMN1; SMN2KDM4ES1PR1S1PR3SIGMAR1
SCHEMBL12373841 0.88 ALDH1A1 (0.46) SMN1; SMN2KDM4ES1PR1S1PR3SIGMAR1
SCHEMBL12373858 0.85 S1PR1 (0.48) S1PR1S1PR3KMT2ACYP3A4CYP2D6
SCHEMBL12373908 0.84 S1PR1 (0.48) S1PR1S1PR3KMT2APOLBCYP2D6
SCHEMBL12373902 0.84 S1PR1 (0.46) S1PR1S1PR3KMT2ACYP2D6CYP2C19
SCHEMBL12373851 0.83 S1PR1 (0.50) S1PR1S1PR3KMT2ACYP2D6CYP2C19
SCHEMBL12373901 0.82 S1PR1 (0.44) S1PR1S1PR3KMT2ACYP2D6CYP2C19
SCHEMBL12373863 0.82 S1PR1 (0.44) S1PR1S1PR3KMT2ACYP2D6CYP2C19
SCHEMBL12373892 0.81 S1PR1 (0.44) S1PR1S1PR3KMT2ACYP2D6CYP2C19
SCHEMBL12373910 0.81 S1PR1 (0.57) S1PR1S1PR3KMT2ACYP2D6CYP2C19

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 SMN1; SMN2 3091/4885KDM4E 2845/4885S1PR1 1/4885

“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.