SCHEMBL12373533

SCHEMBL12373533

CCn1c(C(C)NS(=O)(=O)c2c(Cl)ccc3nonc23)cnc1Oc1ccc(C)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
TLR9 Q9NR96 1/20 0.39
S1PR1 P21453 12/20 0.36
NPBWR1 P48145 3/20 0.34
MCHR1 Q99705 2/20 0.34
S1PR3 Q99500 1/20 0.33
ALDH1A1 P00352 3/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30
GLA P06280 1/20 0.30
HTT P42858 1/20 0.30
P2RX3 P56373 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL12373476 0.86 NPBWR1 (0.35) KMT2AS1PR1NPBWR1MCHR1S1PR3
SCHEMBL12373488 0.85 S1PR1 (0.39) S1PR1NPBWR1MCHR1S1PR3P2RX3
SCHEMBL12373720 0.85 ALDH1A1 (0.45) KMT2AALDH1A1GLAHTTMAPK1
SCHEMBL12373545 0.83 NR3C1 (0.39) KMT2AS1PR1NPBWR1MCHR1S1PR3
SCHEMBL12373579 0.82 S1PR1 (0.40) KMT2AS1PR1NPBWR1MCHR1S1PR3
SCHEMBL12373563 0.81 S1PR1 (0.35) S1PR1S1PR3P2RX3
SCHEMBL12373686 0.81 S1PR1 (0.37) KMT2AS1PR1NPBWR1MCHR1S1PR3
SCHEMBL12373637 0.80 NR3C1 (0.41) S1PR1NPBWR1MCHR1S1PR3CYP2D6
SCHEMBL12373532 0.80 NR3C1 (0.45) KMT2AALDH1A1
SCHEMBL2278141 0.80 S1PR1 (0.48) KMT2AS1PR1S1PR3ALDH1A1CYP2D6

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 2 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-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 KMT2A 3906/4885NPC1 335/4885TLR9 2365/4885

“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.