SCHEMBL16097553

SCHEMBL16097553

O=C(O)c1ccc(O)c(I)c1O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SELL P14151 1/20 0.64
SELP P16109 1/20 0.64
MMP2 P08253 1/20 0.47
MEN1 O00255 2/20 0.45
KDR P35968 2/20 0.45
KMT2A Q03164 2/20 0.45
PDE4A P27815 1/20 0.45
BLVRB P30043 1/20 0.45
HTT P42858 1/20 0.45
ALDH1A1 P00352 5/20 0.45
CA1 P00915 4/20 0.45
CA2 P00918 4/20 0.45
CA12 O43570 3/20 0.45
CA7 P43166 3/20 0.45
CA9 Q16790 3/20 0.45
CA14 Q9ULX7 3/20 0.45
PTGS2 P35354 2/20 0.45
ALOX5 P09917 1/20 0.45
TSHR P16473 1/20 0.45
CYP1A2 P05177 1/20 0.44

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
SCHEMBL23600929 0.84 SELL (0.54) SELLSELPMEN1KDRKMT2A
SCHEMBL606643 0.82 SELL (0.52) SELLSELPMMP2MEN1KDR
SCHEMBL9482449 0.80 SELL (0.50) SELLSELPMMP2MEN1KDR
SCHEMBL5501258 0.80 SELL (0.50) SELLSELPMMP2MEN1KDR
SCHEMBL31069851 0.80 ALDH1A1 (0.48) SELLSELPMEN1KMT2AHTT
SCHEMBL481238 0.80 ALDH1A1 (0.48) SELLSELPMEN1KMT2AHTT
SCHEMBL31069850 0.80 ALDH1A1 (0.48) SELLSELPMEN1KMT2AHTT
SCHEMBL2649706 0.78 CSNK2A1 (0.48) SELLSELPMEN1KDRKMT2A
SCHEMBL77708 0.78 SELL (1.00) SELLSELPMMP2MEN1KDR
SCHEMBL31236653 0.78 SELL (1.00) SELLSELPMMP2MEN1KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970339-B1 1-HYDROXY-BENZOOXABOROLES AS ANTIPARASITIC AGENTS LILLY CO ELI (US) 2017-08-16 EP disclosed
US-9617285-B2 1-hydroxy-benzooxaboroles as antiparasitic agents ELI LILLY AND COMPANY (US) 2017-04-11 US disclosed
CN-105051048-B 1-hydroxy-benzoxaboroles as antiparasitic agents 伊莱利利公司 2017-03-15 CN disclosed
EP-2970339-A1 1 -HYDROXY-BENZOOXABOROLES AS ANTIPARASITIC AGENTS Eli Lilly and Company (US) 2016-01-20 EP disclosed
US-20150353581-A1 1-HYDROXY-BENZOOXABOROLES AS ANTIPARASITIC AGENTS ELI LILLY AND COMPANY (US) 2015-12-10 US disclosed
CN-105051048-A 1-hydroxy-benzoxaboroles as antiparasitic agents LILLY CO ELI 2015-11-11 CN disclosed
WO-2014149793-A1 1 -HYDROXY-BENZOOXABOROLES AS ANTIPARASITIC AGENTS ELI LILLY AND COMPANY (US) 2014-09-25 WO 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-20150353581-A1 1-HYDROXY-BENZOOXABOROLES AS ANTIPARASITIC AGENTS HAO1, CYP8B1, KMO SELL 3265/4885SELP 3516/4885MMP2 2153/4885

“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.