SCHEMBL10178083

SCHEMBL10178083

CCOC(=O)C1=CCCCC1S(=O)(=O)CC

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 9/20 0.55
ALDH1A1 P00352 3/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
HTT P42858 1/20 0.34
TSHR P16473 1/20 0.34
RAB9A P51151 2/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
NPC1 O15118 1/20 0.34
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL16491621 0.88 TLR4 (0.57) TLR4ALDH1A1LMNAPOLBHTT
SCHEMBL871622 0.85 TLR4 (0.50) TLR4ALDH1A1POLBTSHRGAA
SCHEMBL872380 0.82 TLR4 (0.48) TLR4ALDH1A1LMNAHTTGAA
SCHEMBL1861096 0.79 TLR4 (0.55) TLR4ALDH1A1LMNAPOLBGAA
SCHEMBL1860668 0.79 TLR4 (0.58) TLR4ALDH1A1LMNAPOLBHTT
SCHEMBL872382 0.79 TLR4 (0.60) TLR4ALDH1A1GAA
SCHEMBL871427 0.79 TLR4 (0.62) TLR4ALDH1A1POLBTSHRCA1
SCHEMBL16489094 0.78 TLR4 (0.45) TLR4ALDH1A1LMNATSHRRAB9A
SCHEMBL8746923 0.78 TLR4 (0.47) TLR4ALDH1A1TSHRRAB9ACA1
SCHEMBL871297 0.78 TLR4 (0.68) TLR4HTTSMN1; 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 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 922/4885LMNA 4456/4885
US-20090062355-A1 Pharmaceutical Product ATF1, ATF4, TLR8 TLR4 13/4885ALDH1A1 939/4885LMNA 4365/4885
US-20120077856-A1 PHARMACEUTICAL PRODUCT ATF1, ATF4, TLR8 TLR4 13/4885ALDH1A1 939/4885LMNA 4365/4885

“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.