SCHEMBL10177987

SCHEMBL10177987

CCOC(=O)C1=CCOCC1S(=O)(=O)NC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 6/20 0.40
ALDH1A1 P00352 5/20 0.33
HPGD P15428 4/20 0.33
LMNA P02545 1/20 0.33
RECQL P46063 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
GAA P10253 3/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
ABL1 P00519 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
SCHEMBL872792 0.78 TLR4 (0.60) TLR4LMNAGAAKDM4EHSD17B10
SCHEMBL2238499 0.77 TLR4 (0.74) TLR4LMNAKMT2A
SCHEMBL871856 0.77 TLR4 (0.74) TLR4LMNAKMT2A
SCHEMBL2234657 0.77 TLR4 (0.74) TLR4LMNAKMT2A
SCHEMBL2237906 0.76 TSHR (0.37) TLR4ALDH1A1LMNACA1CA2
SCHEMBL2236480 0.76 TSHR (0.37) TLR4ALDH1A1LMNACA1CA2
SCHEMBL13045029 0.75 TSHR (0.36) ALDH1A1HPGDLMNACA1CA2
SCHEMBL2235294 0.75 TSHR (0.36) ALDH1A1HPGDLMNACA1CA2
SCHEMBL18204555 0.70 GSK3B (0.33) ALDH1A1HPGDLMNACA1CA2
SCHEMBL18204552 0.70 L3MBTL1 (0.43) TLR4LMNAPOLBTDP1L3MBTL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120077856-A1 PHARMACEUTICAL PRODUCT TAKEDA PHARMACEUTICAL COMPANY LIMITED 2012-03-29 US disclosed
US-20090105314-A1 Pharmaceutical Agent TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-04-23 US disclosed
US-20090062355-A1 Pharmaceutical Product TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-03-05 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 (3 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-20090105314-A1 Pharmaceutical Agent TLR1, TLR6, TPMT TLR4 8/4885ALDH1A1 922/4885HPGD 2731/4885
US-20090062355-A1 Pharmaceutical Product ATF1, ATF4, TLR8 TLR4 13/4885ALDH1A1 939/4885HPGD 540/4885
US-20120077856-A1 PHARMACEUTICAL PRODUCT ATF1, ATF4, TLR8 TLR4 13/4885ALDH1A1 939/4885HPGD 540/4885

“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.