SCHEMBL4108331

SCHEMBL4108331

CCc1c(C(C)NS(=O)(=O)c2ccc(Cl)c(Cl)c2)nn(C)c1OC(=O)c1ccc(C)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.38
GAA P10253 3/20 0.38
MAPT P10636 3/20 0.38
MEN1 O00255 1/20 0.38
S1PR1 P21453 5/20 0.38
ALDH1A1 P00352 3/20 0.37
RAB9A P51151 1/20 0.36
S1PR3 Q99500 1/20 0.35
LGALS8 O00214 1/20 0.35
LGALS3 P17931 1/20 0.35
KDM4E B2RXH2 2/20 0.35
LMNA P02545 1/20 0.35
CNR1 P21554 1/20 0.35
POLB P06746 2/20 0.35
RECQL P46063 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
MGAM O43451 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34

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 0.86 CNR1 (0.41) GAAS1PR1ALDH1A1RAB9AS1PR3
SCHEMBL1706092 0.82 S1PR1 (0.38) KMT2AGAAMAPTMEN1S1PR1
SCHEMBL2274481 0.78 S1PR1 (0.47) S1PR1S1PR3
SCHEMBL2280964 0.76 MAPT (0.38) KMT2AGAAMAPTMEN1ALDH1A1
SCHEMBL12373784 0.74 SMN1; SMN2 (0.38) KMT2AGAAMAPTMEN1S1PR1
SCHEMBL1706093 0.70 CNR1 (0.41) KMT2AMAPTMEN1S1PR1ALDH1A1
SCHEMBL12156293 0.67 ALDH1A1 (0.42) KMT2AGAAMAPTS1PR1ALDH1A1
SCHEMBL4116354 0.66 ELANE (0.46) KMT2AGAAMAPTMEN1ALDH1A1
SCHEMBL2391157 0.66 S1PR1 (0.56) KMT2AS1PR1S1PR3CNR1
SCHEMBL2280215 0.65 S1PR1 (0.43) KMT2AS1PR1RAB9AS1PR3CNR1

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-20090182144-A1 BINDING INHIBITOR OF SPHINGOSINE-1-PHOSPHATE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-07-16 US disclosed
EP-1988081-A1 BINDING INHIBITOR OF SPHINGOSINE-1-PHOSPHATE TAISHO PHARMACEUTICAL CO., LTD (JP) 2008-11-05 EP 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 3906/4885GAA 4428/4885MAPT 3475/4885

“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.