SCHEMBL12373841

SCHEMBL12373841

CCn1c(C(C)NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cnc1Oc1ccc(OCCN2CCOCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
SIGMAR1 Q99720 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
NPC1 O15118 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
S1PR1 P21453 2/20 0.41
S1PR3 Q99500 1/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MEN1 O00255 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
BRAF P15056 1/20 0.38
MAPK14 Q16539 1/20 0.38
MMP1 P03956 1/20 0.38

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
SCHEMBL12160885 0.88 S1PR1 (0.55) ALDH1A1KDM4ESIGMAR1CA12CA1
SCHEMBL12373869 0.88 SMN1; SMN2 (0.44) ALDH1A1KDM4ESIGMAR1SMN1; SMN2S1PR1
SCHEMBL2279361 0.84 S1PR1 (0.51) S1PR1S1PR3KMT2A
SCHEMBL12373817 0.84 CNR1 (0.51) ALDH1A1SMN1; SMN2S1PR1S1PR3KMT2A
SCHEMBL12373874 0.84 S1PR1 (0.44) ALDH1A1KDM4ESMN1; SMN2S1PR1S1PR3
SCHEMBL12373795 0.84 S1PR1 (0.49) ALDH1A1SMN1; SMN2S1PR1S1PR3MMP1
SCHEMBL2278141 0.83 S1PR1 (0.48) ALDH1A1SMN1; SMN2S1PR1S1PR3KMT2A
SCHEMBL12373819 0.83 S1PR1 (0.49) ALDH1A1SMN1; SMN2S1PR1S1PR3KMT2A
SCHEMBL12373790 0.83 S1PR1 (0.52) ALDH1A1SMN1; SMN2S1PR1S1PR3KMT2A
SCHEMBL12373802 0.80 S1PR1 (0.47) S1PR1S1PR3KMT2A

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 ALDH1A1 2969/4885KDM4E 2845/4885SIGMAR1 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.