Sugi Predict

Sugi Predict / Compounds / SCHEMBL127411

SCHEMBL127411

SCHEMBL127411

CC(C)(C)OC(=O)c1cccc(CBr)c1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SLC7A5 Q01650 2/20 0.62
▸ LOXL2 Q9Y4K0 1/20 0.47
▸ CYP4F2 P78329 4/20 0.46
▸ CYP4A11 Q02928 4/20 0.46
▸ MEP1B Q16820 1/20 0.43
▸ AKT1 P31749 1/20 0.43
▸ MRGPRX4 Q96LA9 2/20 0.41
▸ STAT3 P40763 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ GABRA1 P14867 1/20 0.40
▸ GABRG2 P18507 1/20 0.40
▸ GABRB3 P28472 1/20 0.40
▸ GABRA3 P34903 1/20 0.40
▸ GABRA2 P47869 1/20 0.40
▸ FOLH1 Q04609 1/20 0.39

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
SCHEMBL29471996 1.00 SLC7A5 (0.62) SLC7A5LOXL2CYP4F2CYP4A11MEP1B
SCHEMBL31487728 0.88 SLC7A5 (0.59) SLC7A5LOXL2CYP4F2CYP4A11MEP1B
SCHEMBL12301533 0.87 SLC7A5 (0.65) SLC7A5LOXL2CYP4F2CYP4A11MEP1B
SCHEMBL7384982 0.85 SLC7A5 (0.63) SLC7A5LOXL2CYP4F2CYP4A11MRGPRX4
SCHEMBL3499880 0.85 SLC7A5 (0.63) SLC7A5LOXL2CYP4F2CYP4A11MRGPRX4
SCHEMBL27543607 0.84 ALDH1A1 (0.58) SLC7A5LOXL2CYP4F2CYP4A11MEP1B
SCHEMBL29137828 0.84 SLC7A5 (0.59) SLC7A5LOXL2CYP4F2CYP4A11MEP1B
SCHEMBL10431445 0.84 SLC7A5 (0.62) SLC7A5LOXL2CYP4F2CYP4A11MRGPRX4
SCHEMBL4928282 0.84 LOXL2 (0.69) SLC7A5LOXL2CYP4F2CYP4A11MRGPRX4
SCHEMBL1246082 0.84 SLC7A5 (0.62) SLC7A5LOXL2CYP4F2CYP4A11MRGPRX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025058977-A1 MODULATORS OF CORONAVIRUS 3C-LIKE PROTEASE AND USES THEREOF Vir Biotechnology, Inc. (US) 2025-03-20 — — WO disclosed
EP-4314004-B1 CARBOXY SUBSTITUTED GLUCOCORTICOID RECEPTOR AGONISTS LILLY CO ELI (US) 2025-01-22 — — EP disclosed
US-12162905-B2 Carboxy substituted glucocorticoid receptor agonists ELI LILLY AND COMPANY (US) 2024-12-10 — — US disclosed
US-11986471-B2 Compounds and methods of use TANGO THERAPEUTICS, INC. (US) 2024-05-21 — — US disclosed
EP-4314004-A1 CARBOXY SUBSTITUTED GLUCOCORTICOID RECEPTOR AGONISTS Eli Lilly and Company (US) 2024-02-07 — — EP disclosed
EP-4304588-A1 COMPOUNDS HAVING TETRAHYDROINDOLIZINE-1-CARBOXAMIDE AS BCL-2 INHIBITORS Eil Therapeutics, Inc. (US) 2024-01-17 — — EP disclosed
US-20230406830-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS Valo Health, LLC 2023-12-21 — — US disclosed
CN-116981458-A Compounds with tetrahydroindole-1-carboxamides as BCL-2 inhibitors 伊尔治疗学股份有限公司 2023-10-31 — — CN disclosed
CN-116888137-A Carboxy substituted glucocorticoid receptor agonists 伊莱利利公司 2023-10-13 — — CN disclosed
US-20230227493-A1 CARBOXY SUBSTITUTED GLUCOCORTICOID RECEPTOR AGONISTS ELI LILLY AND COMPANY 2023-07-20 — — US disclosed
US-20020049316-A1 Protease inhibitors HALBERT STACIE MARIE (US) 2002-04-25 — — US disclosed
WO-2001022966-A1 CASPASES AND APOPTOSIS SMITHKLINE BEECHAM CORPORATION (US) 2001-04-05 — — WO disclosed
EP-1019046-A1 PROTEASE INHIBITORS Smithkline Beecham (US) 2000-07-19 — — EP disclosed
EP-1001933-A1 CASPASES AND APOPTOSIS SMITHKLINE BEECHAM CORPORATION (US) 2000-05-24 — — EP disclosed
WO-1999006367-A1 CASPASES AND APOPTOSIS SMITHKLINE BEECHAM CORPORATION (US) 1999-02-11 — — WO disclosed
WO-1998048799-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1998-11-05 — — WO disclosed
US-5508437-A APPETITE SUPPRESSANTS HOFFMANN-LA ROCHE INC. (US) 1996-04-16 — — US disclosed
US-5296608-A Intermediates for analogs of tyrosine sulfate or tyrosine phosphate containing peptides HOFFMAN-LA ROCHE INC. (US) 1994-03-22 — — US disclosed
US-5182263-A Appetite suppressants HOFFMANN-LA ROCHE INC. (US) 1993-01-26 — — US disclosed
EP-0339549-A2 Tyr-peptide analogs F. HOFFMANN-LA ROCHE AG (CH) 1989-11-02 — — 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 (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-11986471-B2 Compounds and methods of use XDH, F12, LPXN SLC7A5 2181/4885LOXL2 611/4885CYP4F2 204/4885
US-20230227493-A1 CARBOXY SUBSTITUTED GLUCOCORTICOID RECEPTOR AGONISTS NR3C1, MC2R, NR3C2 SLC7A5 1682/4885LOXL2 1208/4885CYP4F2 316/4885
US-20020049316-A1 Protease inhibitors CTSK, CTSZ, CTSG SLC7A5 2322/4885LOXL2 915/4885CYP4F2 2983/4885
US-20230406830-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS HDAC8, HDAC3, HDAC2 SLC7A5 2900/4885LOXL2 2483/4885CYP4F2 1088/4885
US-12162905-B2 Carboxy substituted glucocorticoid receptor agonists NR3C1, MC2R, NR3C2 SLC7A5 1682/4885LOXL2 1208/4885CYP4F2 316/4885

“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.