Sugi Predict

Sugi Predict / Compounds / SCHEMBL953389

SCHEMBL953389

SCHEMBL953389

CC(C)(C)NC(Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 1/20 0.56
▸ ACE P12821 7/20 0.55
▸ MME P08473 6/20 0.55
▸ ACE2 Q9BYF1 2/20 0.55
▸ CPA1 P15085 1/20 0.55
▸ NAALAD2 Q9Y3Q0 1/20 0.52
▸ SLC7A5 Q01650 1/20 0.50
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ MDM4 O15151 1/20 0.48
▸ MDM2 Q00987 1/20 0.48
▸ ESR1 P03372 1/20 0.47
▸ ESR2 Q92731 1/20 0.47
▸ CTSS P25774 1/20 0.47
▸ CTSK P43235 1/20 0.47
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47

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
SCHEMBL838885 1.00 FOLH1 (0.56) FOLH1ACEMMEACE2CPA1
SCHEMBL2579588 0.87 ACE (0.56) FOLH1ACEMMEACE2CPA1
SCHEMBL2818149 0.87 ACE (0.56) FOLH1ACEMMEACE2CPA1
SCHEMBL29163852 0.87 ACE (0.49) FOLH1ACEMMEACE2CPA1
SCHEMBL16863786 0.87 ESR1 (0.51) FOLH1ACEMMEACE2CPA1
SCHEMBL2622217 0.86 NPSR1 (0.55) ACEMMEACE2CPA1NAALAD2
SCHEMBL1061398 0.86 NPSR1 (0.55) ACEMMEACE2CPA1NAALAD2
SCHEMBL9223334 0.86 NPSR1 (0.55) ACEMMEACE2CPA1NAALAD2
SCHEMBL28582998 0.85 ACE (0.53) FOLH1ACEMMEACE2CPA1
SCHEMBL12594037 0.85 GRN (0.50) ACEMMEACE2CPA1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122079826-A HDAC inhibitor based on tyrosine skeleton, and synthesis method and application thereof — 2026-05-26 — — CN claimed
CN-114907546-B Multifunctional polyurea acid ester derivative and preparation method and application thereof 四川大学 2023-06-02 — — CN claimed
CN-108264540-A A kind of preparation method of Cetrorelix 江苏金斯瑞生物科技有限公司 2018-07-10 — — CN claimed
JP-7138284-A — — None — — JP disclosed
CN-122028913-A Oligonucleotides containing ligands in nucleobases, 2 'or 3' positions 阿达尔克斯制药有限公司 2026-05-12 — — CN disclosed
US-20260000775-A1 a4ß1/7 INTEGRIN LIGAND CONJUGATED COMPOUNDS AND USES THEREOF ADARX PHARMACEUTICALS, INC. (US) 2026-01-01 — — US disclosed
WO-2025038971-A1 OLIGONUCLEOTIDES CONTAINING A LIGAND AT A NUCLEOBASE, 2' POSITION, OR 3' POSITION ADARX PHARMACEUTICALS, INC. (US) 2025-02-20 — — WO disclosed
CN-119470406-A Phthalic dicarboxaldehyde disinfectant concentration detection test paper and preparation method thereof 山东新华莎罗雅生物技术有限公司 2025-02-18 — — CN disclosed
CN-119486739-A α4β1/7Integrin ligand conjugated compounds and uses thereof 阿达尔克斯制药有限公司 2025-02-18 — — CN disclosed
EP-4504196-A1 ALPHA4BETA1/7 INTEGRIN LIGAND CONJUGATED COMPOUNDS AND USES THEREOF Adarx Pharmaceuticals, Inc. (US) 2025-02-12 — — EP disclosed
US-20240182517-A1 SILANE-CONTAINING CONDENSED CYCLIC DIPEPTIDE COMPOUND, PRODUCTION METHOD THEREFOR, AND METHOD FOR PRODUCING POLYPEPTIDE COMPOUND USING SAME CHUBU UNIVERSITY EDUCATIONAL FOUNDATION (JP) 2024-06-06 — — US disclosed
US-6020347-A 4-substituted-4-piperidine carboxamide derivatives MERCK & CO., INC. (US) 2000-02-01 — — US disclosed
WO-1999026923-A1 PARA-AMINOMETHYLARYL CARBOXAMIDE DERIVATIVES MERCK & CO., INC. (US) 1999-06-03 — — WO disclosed
WO-1999025685-A1 4-SUBSTITUTED-4-PIPERIDINE CARBOXAMIDE DERIVATIVES MERCK & CO., INC. (US) 1999-05-27 — — WO disclosed
WO-1999006390-A1 CARBAMYLOXY COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. (US) 1999-02-11 — — WO disclosed
EP-0731787-A1 CRYSTALLINE, POLYMORPHIC FORM OF (S,S,S)-N-(1- 2-CARBOXY-3-(N?2 -MESYLLYSYLAMINO)PROPYL]-1-CYCLOPENTYLCARBONYL)TYROSINE Pfizer Limited (GB) 1996-09-18 — — EP disclosed
WO-1995015308-A1 CRYSTALLINE, POLYMORPHIC FORM OF (S,S,S)-N-(1-[2-CARBOXY-3-(N2-MESYLLYSYLAMINO)PROPYL]-1-CYCLOPENTYLCARBONYL)TYROSINE PFIZER LIMITED (GB) 1995-06-08 — — WO disclosed
JP-H07138284-A MOTILIN ANTAGONIST CHUGAI PHARMACEUT CO LTD 1995-05-30 — — JP disclosed
EP-0239874-A2 Substituted derivatives of 4-amino-3-hydroxy-butyric acid, process for their production, medicines containing them, and their application HOECHST AKTIENGESELLSCHAFT (DE) 1987-10-07 — — EP disclosed
EP-0230242-A2 Substituted derivatives of 4-amino-3-hydroxy-butyric acid, process for their production, medicines containing them, and their use HOECHST AKTIENGESELLSCHAFT (DE) 1987-07-29 — — 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 (2 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-20240182517-A1 SILANE-CONTAINING CONDENSED CYCLIC DIPEPTIDE COMPOUND, PRODUCTION METHOD THEREFOR, AND METHOD FOR PRODUCING POLYPEPTIDE COMPOUND USING SAME VIP, NGLY1, NPR1 FOLH1 810/4885ACE 2195/4885MME 2826/4885
US-20260000775-A1 a4ß1/7 INTEGRIN LIGAND CONJUGATED COMPOUNDS AND USES THEREOF ITGB1, ITGB4, ITGA4 FOLH1 967/4885ACE 3137/4885MME 3181/4885

“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.