SCHEMBL20111186

SCHEMBL20111186

CCOC(=O)C1=CC2(CCC1S(=O)(=O)Cc1c(C)cccc1Cl)O[C@@H](CO)[C@H](CO)O2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.34
TLR4 O00206 5/20 0.33
TSHR P16473 3/20 0.32
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 3/20 0.32
TDP1 Q9NUW8 3/20 0.32
MAPT P10636 1/20 0.32
POLB P06746 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
TP53 P04637 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
GAA P10253 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
P2RX7 Q99572 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL19970507 0.89 P2RX7 (0.31) P2RX7
SCHEMBL20111189 0.88 ALDH1A1 (0.38) LMNATLR4TSHRKDM4EALDH1A1
SCHEMBL20111182 0.88 ALDH1A1 (0.38) LMNATLR4TSHRKDM4EALDH1A1
SCHEMBL20111192 0.88 ALDH1A1 (0.38) LMNATLR4TSHRKDM4EALDH1A1
SCHEMBL20111171 0.84 KMT2A (0.37) LMNATLR4TSHRKDM4EALDH1A1
SCHEMBL20111184 0.84 KMT2A (0.37) LMNATLR4TSHRKDM4EALDH1A1
SCHEMBL20111191 0.84 KMT2A (0.37) LMNATLR4TSHRKDM4EALDH1A1
SCHEMBL1869860 0.83 TLR4 (0.42) LMNATLR4TSHRKDM4EALDH1A1
SCHEMBL1865124 0.83 TLR4 (0.42) LMNATLR4TSHRKDM4EALDH1A1
SCHEMBL20111175 0.82 POLB (0.36) ALDH1A1TDP1MAPTPOLBSMN1; SMN2

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 LMNA 3947/4885TLR4 1/4885TSHR 2824/4885

“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.