Sugi Predict

Sugi Predict / Compounds / SCHEMBL23112951

SCHEMBL23112951

SCHEMBL23112951

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1nc2c(B(O)O)cccc2s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PAX8 Q06710 4/20 0.39
▸ HTR2C P28335 1/20 0.36
▸ ALOX15 P16050 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ TP53 P04637 3/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ NFKB2 Q00653 1/20 0.34
▸ RELA Q04206 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ MAPT P10636 5/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ THRB P10828 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ CCR6 P51684 1/20 0.33
▸ ATM Q13315 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
SCHEMBL2171106 0.85 MAPT (0.47) PAX8TP53HPGDRAB9ASMN1; SMN2
SCHEMBL31733296 0.85 MAPT (0.47) PAX8TP53HPGDRAB9ASMN1; SMN2
SCHEMBL31005213 0.84 TP53 (0.39) PAX8HTR2CTP53NPC1HPGD
SCHEMBL23113073 0.84 PAX8 (0.40) PAX8HTR2CALOX15TSHRTP53
SCHEMBL31733218 0.82 PAX8 (0.39) PAX8HTR2CALOX15TSHRTP53
SCHEMBL1557348 0.81 PAX8 (0.38) PAX8HTR2CALOX15TSHRTP53
SCHEMBL31733034 0.81 PAX8 (0.38) PAX8HTR2CALOX15TSHRTP53
SCHEMBL31733024 0.79 CYP1A2 (0.41) PAX8HTR2CTP53RAB9AMAPT
SCHEMBL23673260 0.78 PAX8 (0.38) PAX8HTR2CALOX15TSHRTP53
SCHEMBL31733187 0.77 BACE1 (0.36) PAX8HTR2CRAB9AMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118307515-A Antibacterial compounds 英菲克斯治疗有限公司 2024-07-09 — — CN disclosed
US-11845725-B2 Antibacterial compounds Infex Therapeutics Limited (GB) 2023-12-19 — — US disclosed
EP-3793990-B1 ANTIBACTERIAL COMPOUNDS INFEX THERAPEUTICS LTD (GB) 2023-07-19 — — EP disclosed
US-20230060011-A1 ANTIBACTERIAL COMPOUNDS Infex Therapeutics Limited (GB) 2023-02-23 — — US disclosed
US-11459296-B2 Antibacterial compounds Infex Therapeutics Limited (GB) 2022-10-04 — — US disclosed
US-20210230115-A1 Antibacterial Compounds Infex Therapeutics Limited (GB) 2021-07-29 — — US disclosed
EP-3793990-A1 ANTIBACTERIAL COMPOUNDS Infex Therapeutics Limited (GB) 2021-03-24 — — EP disclosed
CN-112449638-A Antibacterial compounds 英菲克斯治疗有限公司 2021-03-05 — — CN 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 (4 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-20230060011-A1 ANTIBACTERIAL COMPOUNDS GAA, MGAM, NQO1 PAX8 4095/4885HTR2C 4831/4885ALOX15 698/4885
US-20210230115-A1 Antibacterial Compounds GAA, MGAM, NQO1 PAX8 4095/4885HTR2C 4831/4885ALOX15 698/4885
US-11459296-B2 Antibacterial compounds GAA, MGAM, NQO1 PAX8 4095/4885HTR2C 4831/4885ALOX15 698/4885
US-11845725-B2 Antibacterial compounds GAA, MGAM, NQO1 PAX8 4095/4885HTR2C 4831/4885ALOX15 698/4885

“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.