Sugi Predict

Sugi Predict / Compounds / SCHEMBL936431

SCHEMBL936431

SCHEMBL936431

ON=C(Cl)c1ccc(Br)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 1/20 0.44
▸ CES1 P23141 1/20 0.44
▸ HTT P42858 1/20 0.42
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ CYP2A6 P11509 1/20 0.40
▸ GSK3B P49841 3/20 0.38
▸ ESR1 P03372 1/20 0.38
▸ ESR2 Q92731 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ OGG1 O15527 1/20 0.37
▸ LMNA P02545 1/20 0.35
▸ HDAC3 O15379 1/20 0.35
▸ HDAC4 P56524 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC7 Q8WUI4 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ HDAC10 Q969S8 1/20 0.35
▸ HDAC11 Q96DB2 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35

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
SCHEMBL1000463 1.00 CES2 (0.44) CES2CES1HTTCA1CA2
SCHEMBL936429 1.00 CES2 (0.44) CES2CES1HTTCA1CA2
SCHEMBL11814265 0.87 ALDH1A1 (0.33) LMNA
SCHEMBL27128218 0.82 CES2 (0.46) CES2CES1HTTCA1CA2
SCHEMBL17223079 0.82 CES2 (0.46) CES2CES1HTTCA1CA2
SCHEMBL17223080 0.82 CES2 (0.46) CES2CES1HTTCA1CA2
SCHEMBL24484065 0.78 CES2 (0.42) CES2CES1HTTCA1CA2
SCHEMBL28418670 0.78 CES2 (0.42) CES2CES1CA1CA2CYP2A6
SCHEMBL10045039 0.77 MEN1 (0.50) HTTCA1CA2ESR1ESR2
SCHEMBL4039683 0.77 TSHR (0.50) CES2CES1CA1CA2CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240376089-A1 3-HYDROXY-5-(ISOXAZOL-5-YL) PYRIDINE FORMYLGLYCINE COMPOUNDS, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE CHINA PHARMACEUTICAL UNIVERSITY (CN) 2024-11-14 — — US disclosed
CN-116535399-B 3-hydroxy-5- (isoxazol-5-yl) pyridine formyl glycine compound, preparation method, pharmaceutical composition and application 中国药科大学 2024-02-27 — — CN disclosed
CN-116535399-A 3-hydroxy-5- (isoxazol-5-yl) pyridine formyl glycine compound, preparation method, pharmaceutical composition and application 中国药科大学 2023-08-04 — — CN disclosed
WO-2023142214-A1 3-HYDROXY-5-(ISOXAZOL-5-YL) PYRIDINE FORMYLGLYCINE COMPOUNDS, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE 中国药科大学 2023-08-03 — — WO disclosed
US-20220204495-A1 INHIBITING TRABID Valo Health, LLC 2022-06-30 — — US disclosed
WO-2020227168-A1 INHIBITING TRABID INTEGRAL EARLY DISCOVERY, INC. (US) 2020-11-12 — — WO disclosed
EP-3134401-B1 ISOXAZOLINE HYDROXAMIC ACID DERIVATIVES AS LPXC INHIBITORS NOVARTIS AG (CH) 2018-06-13 — — EP disclosed
US-9718792-B2 Isoxazoline hydroxamic acid derivatives as LpxC inhibitors NOVARTIS AG (CH) 2017-08-01 — — US disclosed
US-20170174640-A1 ISOXAZOLINE HYDROXAMIC ACID DERIVATIVES AS LpxC INHIBITORS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2017-06-22 — — US disclosed
US-9637482-B2 Isoxazoline hydroxamic acid derivatives as LpxC inhibitors NOVARTIS AG (CH) 2017-05-02 — — US disclosed
WO-2007039389-A1 ISOXAZOLO DERIVATIVES AS GABA A ALPHA5 INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-04-12 — — WO disclosed
US-20070066668-A1 Isoxazolo derivatives F. HOFFMANN-LA ROCHE AG (CH) 2007-03-22 — — US disclosed
US-7081538-B1 Substituted isoxazolines and their use as antibacterial agents ASTRAZENECA AB (SE) 2006-07-25 — — US disclosed
US-20060116400-A1 Oxazolidinone and/or isoxazoline derivatives as antibacterial agents ASTRAZENECA AB (SE) 2006-06-01 — — US disclosed
EP-1567532-A1 OXAZOLIDINONE AND / OR ISOXAZOLINE DERIVATIVES AS ANTIBACTERIAL AGENTS Astrazeneca AB (SE) 2005-08-31 — — EP disclosed
EP-1242416-B1 SUBSTITUTED ISOXAZOLINES AND THEIR USE AS ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2005-04-13 — — EP disclosed
WO-2004048392-A1 OXAZOLIDINONE AND / OR ISOXAZOLINE DERIVATIVES AS ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2004-06-10 — — WO disclosed
EP-0920421-B1 ISOXAZOLINE DERIVATIVES USEFUL AS ANTIMICROBIALS UPJOHN CO (US) 2002-11-06 — — EP disclosed
US-6093736-A ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN COMPANY 2000-07-25 — — US disclosed
US-5990136-A EFFECTIVE AGAINST GRAMPOSITIVE AEROBIC BACTERIA, E.G. MULTIPLY-RESISTANT STAPHYLOCOCCI AND STREPTOCOCCI, AS WELL AS ANAEROBIC ORGANISMS, E.G. BACTEROIDES, CLOSTRIDIA, MYCOBACTERIUM TUBERCULOSIS AND MYCOBACTERIUM AVIUM PHARMACIA & UPJOHN COMPANY (US) 1999-11-23 — — 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 (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-20060116400-A1 Oxazolidinone and/or isoxazoline derivatives as antibacterial agents NR0B2, NR0B1, HRH2 CES2 2581/4885CES1 734/4885HTT 3388/4885
US-20220204495-A1 INHIBITING TRABID TPO, PRKACG, NFKBIA CES2 4555/4885CES1 2308/4885HTT 3477/4885
US-20170174640-A1 ISOXAZOLINE HYDROXAMIC ACID DERIVATIVES AS LpxC INHIBITORS PRXL2A, AGXT, HAX1 CES2 3284/4885CES1 1538/4885HTT 4490/4885
US-20240376089-A1 3-HYDROXY-5-(ISOXAZOL-5-YL) PYRIDINE FORMYLGLYCINE COMPOUNDS, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE HIF1AN, HIF1A, EGLN3 CES2 4360/4885CES1 2206/4885HTT 281/4885
US-20070066668-A1 Isoxazolo derivatives GABRA5, GABRA4, GABRA1 CES2 2382/4885CES1 985/4885HTT 2677/4885

“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.