SCHEMBL20111191

SCHEMBL20111191

CCOC(=O)C1=CC2(CC[C@H]1S(=O)(=O)Cc1cccc(Cl)c1)O[C@H](CO)[C@@H](CO)O2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.37
MEN1 O00255 4/20 0.37
MAPT P10636 2/20 0.36
MAPK1 P28482 1/20 0.36
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
TACR1 P25103 1/20 0.35
MAOB P27338 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
TLR4 O00206 1/20 0.35
LMNA P02545 4/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.34
CACNA1F O60840 1/20 0.34
CACNA1D Q01668 1/20 0.34
CACNA1S Q13698 1/20 0.34
CACNA1C Q13936 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
SCHEMBL20111184 1.00 KMT2A (0.37) KMT2AMEN1MAPTMAPK1KDM4E
SCHEMBL20111171 1.00 KMT2A (0.37) KMT2AMEN1MAPTMAPK1KDM4E
SCHEMBL20111175 0.91 POLB (0.36) KMT2AMEN1MAPTSMN1; SMN2L3MBTL1
SCHEMBL20111185 0.91 POLB (0.36) KMT2AMEN1MAPTSMN1; SMN2L3MBTL1
SCHEMBL20111176 0.89 MEN1 (0.39) KMT2AMEN1MAPTMAPK1KDM4E
SCHEMBL19982574 0.88 TLR4 (0.38) MAPTKDM4ESMN1; SMN2L3MBTL1TLR4
SCHEMBL19970486 0.87 TAS2R14 (0.34) KMT2ATP53
SCHEMBL19970524 0.87 TAS2R14 (0.34) KMT2ATP53
SCHEMBL19970508 0.87 TAS2R14 (0.34) KMT2ATP53
SCHEMBL20111170 0.85 TLR4 (0.42) KMT2AMEN1MAPTMAPK1L3MBTL1

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-20180118708-A1 CYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-05-03 US disclosed
US-20180118708-A1 CYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-05-03 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-20180118708-A1 CYCLIC COMPOUND TLR4, TLR3, TLR9 KMT2A 3879/4885MEN1 3750/4885MAPT 3713/4885

“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.