Sugi Predict

Sugi Predict / Compounds / SCHEMBL88565

SCHEMBL88565

SCHEMBL88565

CN[C@H](C(=O)O)C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ SLC7A5 Q01650 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ MMP3 P08254 7/20 0.32
▸ MMP2 P08253 6/20 0.32
▸ MMP1 P03956 5/20 0.32
▸ MMP7 P09237 1/20 0.32
▸ MMP9 P14780 2/20 0.30
▸ MMP8 P22894 1/20 0.30
▸ MMP13 P45452 1/20 0.30

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
SCHEMBL3458098 1.00 CA2 (0.37) CA2ALDH1A1MAPTPTGS1SLC7A5
SCHEMBL3458099 1.00 CA2 (0.37) CA2ALDH1A1MAPTPTGS1SLC7A5
Hydrochloric Acid SCHEMBL76316 0.97 CA2 (0.36) CA2ALDH1A1MAPTPTGS1SLC7A5
Hydrochloric Acid SCHEMBL17392837 0.97 CA2 (0.36) CA2ALDH1A1MAPTPTGS1SLC7A5
SCHEMBL2089233 0.81 ALDH1A1 (0.36) ALDH1A1MAPTPTGS1TP53TSHR
SCHEMBL2089231 0.81 ALDH1A1 (0.36) ALDH1A1MAPTPTGS1TP53TSHR
SCHEMBL162227 0.79 ALDH1A1 (0.46) ALDH1A1MAPTPTGS1
SCHEMBL18095144 0.79 ALDH1A1 (0.46) ALDH1A1MAPTPTGS1
SCHEMBL18095145 0.79 ALDH1A1 (0.46) ALDH1A1MAPTPTGS1
SCHEMBL28479550 0.78 CA2 (0.37) CA2ALDH1A1MAPTPTGS1SLC7A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12187816-B2 Macrocyclic compounds and methods of use thereof GENENTECH, INC. (US) 2025-01-07 — — US claimed
CN-115702026-A Macrocyclic compounds and methods of use thereof 基因泰克公司 2023-02-14 — — CN claimed
US-20220106361-A1 MACROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2022-04-07 — — US claimed
EP-1006122-B1 PHENETHYLAMINE DERIVATIVES CHUGAI PHARMACEUTICAL CO LTD (JP) 2008-12-03 — — EP claimed
US-6255285-B1 GASTROINTESTINAL DISORDERS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2001-07-03 — — US claimed
EP-1006122-A1 PHENETHYLAMINE DERIVATIVES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2000-06-07 — — EP claimed
US-20260069728-A1 MULTI-TARGETING COMPOUND AND USE THEREOF CHENGDU SHETAI MEDICAL TECHNOLOGY CO., LTD. (CN) 2026-03-12 — — US disclosed
US-20260001910-A1 PEPTIDES AND USES THEREOF PREVECEUTICAL MEDICAL INC (CA) 2026-01-01 — — US disclosed
US-20250319054-A1 Synthetic Eicosanoid Analogues for the Treatment and Prevention of Diseases Associated with Increased GDF15 Plasma Concentration OMEICOS THERAPEUTICS GMBH (DE) 2025-10-16 — — US disclosed
EP-4627079-A2 THERMOSTABLE BINDING SCAFFOLDS Nectagen, Inc. (US) 2025-10-08 — — EP disclosed
US-20250263393-A1 FAP INHIBITORS SHANGHAI SINOTAU BIOTECH. CO., LTD (CN) 2025-08-21 — — US disclosed
EP-4603105-A1 PHARMACEUTICAL COMPOSITION CONTAINING CYCLIC COMPOUND HAVING SELECTIVE KRAS INHIBITORY EFFECT AGAINST HRAS AND NRAS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2025-08-20 — — EP disclosed
EP-4590664-A1 INHIBITORS OF PROSTATE SPECIFIC MEMBRANE ANTIGEN AND USE THEREOF Shanghai Sinotau Biotech. Co., Ltd (CN) 2025-07-30 — — EP disclosed
WO-1994025046-A1 METHOD OF COMBATING ACYCLOVIR-RESISTANT HERPES SIMPLEX VIRAL INFECTIONS BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1994-11-10 — — WO disclosed
EP-0618226-A1 Inhibitors of herpes viral ribonculeotide reductase BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1994-10-05 — — EP disclosed
WO-1994020528-A1 INHIBITORS OF HERPES VIRAL RIBONUCLEOTIDE REDUCTASE BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1994-09-15 — — WO disclosed
WO-1993018056-A1 ISOSTERIC ANTIHERPES PEPTIDE DERIVATIVES BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1993-09-16 — — WO disclosed
EP-0560267-A1 Isosteric antiherpes peptide derivatives BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1993-09-15 — — EP disclosed
EP-0493770-A2 Antiherpes compositions BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1992-07-08 — — EP disclosed
EP-0411334-A1 Antiherpes pentapeptide derivatives having a substituted aspartic acid side chain BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1991-02-06 — — 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 (6 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-20220106361-A1 MACROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF PAICS, CYCS, LSS CA2 3182/4885ALDH1A1 2370/4885MAPT 3722/4885
US-20250319054-A1 Synthetic Eicosanoid Analogues for the Treatment and Prevention of Diseases Associated with Increased GDF15 Plasma Concentration IL15, ALOX15, FABP3 CA2 4023/4885ALDH1A1 3149/4885MAPT 4543/4885
US-12187816-B2 Macrocyclic compounds and methods of use thereof PAICS, CYCS, LSS CA2 3182/4885ALDH1A1 2370/4885MAPT 3722/4885
US-20260001910-A1 PEPTIDES AND USES THEREOF MMP3, PEPD, MMP9 CA2 531/4885ALDH1A1 3511/4885MAPT 2889/4885
US-20260069728-A1 MULTI-TARGETING COMPOUND AND USE THEREOF CXCR4, CXCR2, GRPR CA2 541/4885ALDH1A1 1068/4885MAPT 2125/4885
US-20250263393-A1 FAP INHIBITORS FAP, APC, FIBP CA2 2120/4885ALDH1A1 1214/4885MAPT 2392/4885

“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.