SCHEMBL12373935

SCHEMBL12373935

CCn1c(C(C)NS(=O)(=O)c2ccc3c(Cl)ccc(Cl)c3c2)cnc1Oc1cccc(N2CCN(C)CC2)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GUSB P08236 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
S1PR1 P21453 2/20 0.39
S1PR3 Q99500 1/20 0.39
BRD4 O60885 1/20 0.39
HTR6 P50406 3/20 0.37
MMP12 P39900 1/20 0.37
HTR7 P34969 7/20 0.37
HTR2C P28335 4/20 0.37
HTR2A P28223 3/20 0.37
HTR1A P08908 2/20 0.37
DRD3 P35462 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
EGFR P00533 3/20 0.35
NUAK1 O60285 1/20 0.35
NUAK2 Q9H093 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 0.93 S1PR1 (0.42) GUSBSMN1; SMN2S1PR1S1PR3BRD4
SCHEMBL12373942 0.93 GUSB (0.44) GUSBSMN1; SMN2S1PR1S1PR3BRD4
SCHEMBL12373788 0.93 HTR6 (0.46) GUSBSMN1; SMN2S1PR1S1PR3BRD4
SCHEMBL12162162 0.88 S1PR1 (0.53) GUSBSMN1; SMN2S1PR1S1PR3BRD4
SCHEMBL12373925 0.87 HTR7 (0.45) GUSBSMN1; SMN2S1PR1BRD4HTR6
SCHEMBL12373920 0.86 HTR2C (0.43) BRD4HTR6HTR7HTR2CHTR2A
SCHEMBL12373927 0.86 BRD4 (0.41) SMN1; SMN2BRD4HTR6HTR7HTR2C
SCHEMBL12373827 0.86 S1PR1 (0.42) GUSBSMN1; SMN2S1PR1S1PR3HTR7
SCHEMBL12373795 0.85 S1PR1 (0.49) GUSBSMN1; SMN2S1PR1S1PR3BRD4
SCHEMBL12373825 0.81 SCN9A (0.43) 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 GUSB 4631/4885SMN1; SMN2 3091/4885S1PR1 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.