SCHEMBL9545245

SCHEMBL9545245

CC(C)C[C@H](NC(=O)[C@@H](N)CS)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.55
MME P08473 3/20 0.54
MEN1 O00255 1/20 0.51
LMNA P02545 1/20 0.51
KMT2A Q03164 1/20 0.51
ACE P12821 1/20 0.51
LAP3 P28838 3/20 0.51
MAPT P10636 1/20 0.49
SLC7A5 Q01650 1/20 0.47
LTA4H P09960 1/20 0.47
FNTA P49354 1/20 0.46
FNTB P49356 1/20 0.46
FOLH1 Q04609 2/20 0.46

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
SCHEMBL9545240 1.00 ALDH1A1 (0.55) ALDH1A1MMEMEN1LMNAKMT2A
SCHEMBL29566961 0.92 MME (0.49) ALDH1A1MMEMEN1LMNAKMT2A
SCHEMBL30011110 0.92 ACE (0.56) ALDH1A1MMEMEN1LMNAKMT2A
SCHEMBL30010902 0.92 ACE (0.56) ALDH1A1MMEMEN1LMNAKMT2A
SCHEMBL30010855 0.92 ACE (0.56) ALDH1A1MMEMEN1LMNAKMT2A
SCHEMBL30010989 0.92 ACE (0.56) ALDH1A1MMEMEN1LMNAKMT2A
SCHEMBL29714714 0.91 FNTA (0.48) ALDH1A1MMEMEN1LMNAKMT2A
SCHEMBL31469847 0.90 MME (0.46) ALDH1A1MMEMEN1LMNAKMT2A
SCHEMBL31720932 0.89 ACE (0.51) ALDH1A1MMEMEN1LMNAKMT2A
SCHEMBL29893864 0.89 FOLH1 (0.58) ALDH1A1MMEFOLH1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250270610-A1 Improving the Efficiency of PAL-Catalyzed Protein Ligation By A Cascade Enzymatic Scheme NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2025-08-28 US disclosed
US-20250257095-A1 METHOD FOR VISIBLE LIGHT-MEDIATED CHEMICAL MODIFICATION OF POLYPEPTIDE AND PROTEIN BASED ON CYSTEINE SHANGHAI JIAO TONG UNIVERSITY (CN) 2025-08-14 US disclosed
EP-4545545-A1 VISIBLE LIGHT-MEDIATED CYSTEINE-BASED POLYPEPTIDE AND PROTEIN CHEMICAL MODIFICATION METHOD Shanghai Jiao Tong University (CN) 2025-04-30 EP disclosed
EP-4499858-A1 IMPROVING THE EFFICIENCY OF PAL-CATALYZED PROTEIN LIGATION BY A CASCADE ENZYMATIC SCHEME Nanyang Technological University (SG) 2025-02-05 EP disclosed
CN-119234043-A PAL-catalytic protein ligation efficiency by cascade enzymatic method 南洋理工大学 2024-12-31 CN disclosed
CN-117999279-A Peptides for anti-fibrotic therapy 麦克马斯特大学 2024-05-07 CN disclosed
WO-2024007714-A1 VISIBLE LIGHT-MEDIATED CYSTEINE-BASED POLYPEPTIDE AND PROTEIN CHEMICAL MODIFICATION METHOD 上海交通大学 2024-01-11 WO disclosed
CN-117343124-A Visible light mediated cysteine-based polypeptides and protein chemical modification methods 上海交通大学 2024-01-05 CN disclosed
WO-2023191726-A1 IMPROVING THE EFFICIENCY OF PAL-CATALYZED PROTEIN LIGATION BY A CASCADE ENZYMATIC SCHEME NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2023-10-05 WO disclosed
CN-113603681-B Compound based on cyanine dye and preparation method and application thereof 湖北大学 2023-03-24 CN disclosed
CN-113603681-B Compound based on cyanine dye and preparation method and application thereof 湖北大学 2023-03-24 CN disclosed
EP-2610338-A1 METHOD FOR PRODUCING SUBSTANCE Kyowa Hakko Kirin Co., Ltd. (JP) 2013-07-03 EP disclosed
US-20130130317-A1 METHOD FOR PRODUCING SUBSTANCE KYOWA HAKKO KIRIN CO., LTD (JP) 2013-05-23 US disclosed
WO-1993021211-A1 AMIDES HAVING INHIBITING ACTIVITY ON PHOSPHOLIPASE A2, A PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LABORATORIOS MENARINI S.A. (ES) 1993-10-28 WO disclosed
US-4866180-A MITOMYCIN ANALOGS; ANTITUMOR AGENTS BRISTOL-MYERS COMPANY (US) 1989-09-12 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 (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-20250270610-A1 Improving the Efficiency of PAL-Catalyzed Protein Ligation By A Cascade Enzymatic Scheme QPCT, GLUL, QPCTL ALDH1A1 4141/4885MME 1340/4885MEN1 2312/4885
US-20250257095-A1 METHOD FOR VISIBLE LIGHT-MEDIATED CHEMICAL MODIFICATION OF POLYPEPTIDE AND PROTEIN BASED ON CYSTEINE PTMS, CTH, CISD1 ALDH1A1 2160/4885MME 1398/4885MEN1 4662/4885

“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.