Sugi Predict

Sugi Predict / Compounds / SCHEMBL901531

SCHEMBL901531

SCHEMBL901531

CC(C)(C)OC(=O)NCCc1cccc(B(O)O)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NQO2 P16083 1/20 0.49
▸ CA2 P00918 3/20 0.47
▸ LPL P06858 2/20 0.47
▸ LIPG Q9Y5X9 2/20 0.47
▸ POLB P06746 1/20 0.46
▸ NAMPT P43490 1/20 0.46
▸ IDO1 P14902 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ CA1 P00915 2/20 0.44
▸ ENPP2 Q13822 1/20 0.43
▸ CTSK P43235 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ TAAR1 Q96RJ0 1/20 0.42
▸ SIGMAR1 Q99720 1/20 0.42
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ SPR P35270 1/20 0.41

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
SCHEMBL1162968 0.86 GLS (0.49) NAMPTCA1ENPP2
SCHEMBL5729170 0.84 CTSS (0.54) NQO2CA2POLBNAMPTIDO1
SCHEMBL1585947 0.83 CA2 (0.53) NQO2CA2LPLLIPGNAMPT
SCHEMBL31505839 0.82 NQO2 (0.62) NQO2CA2POLBNAMPTIDO1
SCHEMBL69058 0.82 NQO2 (0.62) NQO2CA2POLBNAMPTIDO1
SCHEMBL16787407 0.82 POLB (0.62) NQO2CA2POLBNAMPTIDO1
SCHEMBL9985225 0.82 NQO2 (0.52) NQO2CA2POLBNAMPTIDO1
SCHEMBL34475125 0.82 CA2 (0.55) NQO2CA2POLBNAMPTIDO1
SCHEMBL15805853 0.81 NQO2 (0.51) NQO2CA2POLBNAMPTIDO1
SCHEMBL31457033 0.81 CTSK (0.54) NQO2CA2POLBNAMPTIDO1

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12012466-B2 Peptide macrocycles against Acinetobacter baumannii HOFFMANN-LA ROCHE INC. (US) 2024-06-18 — — US disclosed
CN-110366556-B Antibacterial peptide macrocyclic compounds and uses thereof 豪夫迈·罗氏有限公司 2024-01-05 — — CN disclosed
US-20220411468-A1 PEPTIDE MACROCYCLES AGAINST ACINETOBACTER BAUMANNII HOFFMANN-LA ROCHE INC. (US) 2022-12-29 — — US disclosed
EP-3609904-B1 ANTI-BACTERIAL PEPTIDE MACROCYCLES AND USE THEREOF HOFFMANN LA ROCHE (CH) 2022-11-30 — — EP disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 — — US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 — — US disclosed
CN-108350028-B Peptide macrocycles against Acinetobacter baumannii 豪夫迈·罗氏有限公司 2021-12-07 — — CN disclosed
US-11066443-B2 Anti-bacterial peptide macrocycles and use thereof HOFFMANN-LA ROCHE INC. (US) 2021-07-20 — — US disclosed
EP-3368544-B1 PEPTIDE MACROCYCLES AGAINST ACINETOBACTER BAUMANNII HOFFMANN LA ROCHE (CH) 2020-06-17 — — EP disclosed
EP-3609904-A1 ANTI-BACTERIAL PEPTIDE MACROCYCLES AND USE THEREOF H. Hoffnabb-La Roche Ag (CH) 2020-02-19 — — EP disclosed
US-10030047-B2 Peptide macrocycles against acinetobacter baumannii HOFFMANN-LA ROCHE INC. (US) 2018-07-24 — — US disclosed
US-20170233437-A1 PEPTIDE MACROCYCLES AGAINST ACINETOBACTER BAUMANNII HOFFMANN-LA ROCHE INC. (US) 2017-08-17 — — US disclosed
WO-2017072062-A1 PEPTIDE MACROCYCLES AGAINST ACINETOBACTER BAUMANNII F. HOFFMANN-LA ROCHE AG (CH) 2017-05-04 — — WO disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 — — US disclosed
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 — — EP disclosed
EP-2441755-A1 Pyridine- and isoquinoline-derivatives as Syk and JAK kinase inhibitors Almirall, S.A. (ES) 2012-04-18 — — EP disclosed
EP-2441755-A1 Pyridine- and isoquinoline-derivatives as Syk and JAK kinase inhibitors Almirall, S.A. (ES) 2012-04-18 — — EP disclosed
WO-2012041476-A1 PYRIDINE AND ISOQUINOLINE DERIVATIVES AS SYK- AND JAK-KINASE INHIBITORS ALMIRALL, S.A. (ES) 2012-04-05 — — WO disclosed
WO-2012041476-A1 PYRIDINE AND ISOQUINOLINE DERIVATIVES AS SYK- AND JAK-KINASE INHIBITORS ALMIRALL, S.A. (ES) 2012-04-05 — — WO disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 — — 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 (5 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-11066443-B2 Anti-bacterial peptide macrocycles and use thereof CFTR, VIP, NGLY1 NQO2 817/4885CA2 4140/4885LPL 3970/4885
US-20220411468-A1 PEPTIDE MACROCYCLES AGAINST ACINETOBACTER BAUMANNII VIP, ARG1, CX3CR1 NQO2 1735/4885CA2 3448/4885LPL 4734/4885
US-12012466-B2 Peptide macrocycles against Acinetobacter baumannii VIP, ARG1, CX3CR1 NQO2 1735/4885CA2 3448/4885LPL 4734/4885
US-20170233437-A1 PEPTIDE MACROCYCLES AGAINST ACINETOBACTER BAUMANNII VIP, ARG1, CX3CR1 NQO2 1735/4885CA2 3448/4885LPL 4734/4885
US-10030047-B2 Peptide macrocycles against acinetobacter baumannii VIP, ARG1, CX3CR1 NQO2 1735/4885CA2 3448/4885LPL 4734/4885

“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.