SCHEMBL12373784

SCHEMBL12373784

CCc1c(C(C)NS(=O)(=O)c2ccc3c(Cl)cccc3c2)nn(C)c1Oc1ccc(C)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.38
ALDH1A1 P00352 3/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 2/20 0.38
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
S1PR1 P21453 7/20 0.36
HTR6 P50406 3/20 0.36
GAA P10253 1/20 0.35
SCN9A Q15858 1/20 0.33
GHSR Q92847 1/20 0.33
MAPT P10636 1/20 0.33
S1PR3 Q99500 1/20 0.33

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
SCHEMBL2280153 0.87 CNR1 (0.41) SMN1; SMN2ALDH1A1LMNAHTTL3MBTL1
SCHEMBL12156213 0.83 CYP1A2 (0.38) SMN1; SMN2ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL12373786 0.80 S1PR1 (0.48) CYP2D6CYP2C19S1PR1S1PR3
SCHEMBL4108331 0.74 KMT2A (0.38) ALDH1A1LMNAMEN1KMT2AL3MBTL1
SCHEMBL1705611 0.73 CYP1A2 (0.39) SMN1; SMN2ALDH1A1LMNACYP1A2CYP3A4
SCHEMBL1706072 0.71 HTR6 (0.46) SMN1; SMN2HTR6SCN9AGHSR
SCHEMBL12161129 0.71 S1PR1 (0.61) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL12161133 0.71 S1PR1 (0.61) CYP2D6CYP2C19KMT2AS1PR1S1PR3
SCHEMBL1706083 0.71 CYP1A2 (0.38) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1706093 0.70 CNR1 (0.41) SMN1; SMN2ALDH1A1CYP3A4CYP2C9CYP2C19

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 3091/4885ALDH1A1 2969/4885LMNA 3437/4885

“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.