SCHEMBL2383804

SCHEMBL2383804

CS(=O)(=O)OC[C@@H](Oc1ccccc1)[C@@H]1CO1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.35
CHRM2 P08172 2/20 0.33
CHRM4 P08173 2/20 0.33
CHRM5 P08912 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
LMNA P02545 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
SLC6A2 P23975 1/20 0.31
CTSB P07858 1/20 0.31
MTNR1A P48039 1/20 0.31
MTNR1B P49286 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
SCHEMBL2383807 1.00 TDP1 (0.35) TDP1CHRM2CHRM4CHRM5CHRM1
SCHEMBL2386597 0.89 FFAR4 (0.39)
SCHEMBL2386602 0.89 FFAR4 (0.39)
SCHEMBL2383358 0.85 SLC6A2 (0.44) TDP1LMNACYP1A2SLC6A2
SCHEMBL2383353 0.85 SLC6A2 (0.44) TDP1LMNACYP1A2SLC6A2
SCHEMBL2385224 0.81 CA1 (0.37) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL2385217 0.81 CA1 (0.37) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL2383729 0.79 MEN1 (0.37) CYP1A2CYP2C19SLC6A2
SCHEMBL2383732 0.79 MEN1 (0.37) CYP1A2CYP2C19SLC6A2
SCHEMBL6021886 0.77 TDP1 (0.42) TDP1CHRM2CHRM4CHRM5CHRM1

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-8293715-B2 10a-Azalide compound crosslinked at 10a- and 12-positions TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-10-23 US disclosed
US-20110237784-A1 10A-AZALIDE COMPOUND CROSSLINKED AT 10A- AND 12-POSITIONS TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-09-29 US disclosed
EP-2177526-A1 10A-AZALIDE COMPOUND CROSSLINKED AT POSITION-10A AND POSITION-12 Taisho Pharmaceutical Co. Ltd. (JP) 2010-04-21 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-20110237784-A1 10A-AZALIDE COMPOUND CROSSLINKED AT 10A- AND 12-POSITIONS DCLRE1A, AZI2, CHD9 TDP1 1385/4885CHRM2 3990/4885CHRM4 3617/4885

“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.