SCHEMBL627379

SCHEMBL627379

CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.67
CTSK P43235 3/20 0.67
ALDH1A1 P00352 1/20 0.54
KMT2A Q03164 1/20 0.48
PSENEN Q9NZ42 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
CA2 P00918 3/20 0.47
CA1 P00915 1/20 0.47
CA7 P43166 1/20 0.47
POLB P06746 1/20 0.44
TYR P14679 1/20 0.43
CYP2D6 P10635 1/20 0.43

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
SCHEMBL1951088 1.00 CTSS (0.67) CTSSCTSKALDH1A1KMT2APSENEN
SCHEMBL3825684 1.00 CTSS (0.67) CTSSCTSKALDH1A1KMT2APSENEN
SCHEMBL3205842 1.00 CTSS (0.67) CTSSCTSKALDH1A1KMT2APSENEN
SCHEMBL2159319 1.00 CTSS (0.67) CTSSCTSKALDH1A1KMT2APSENEN
SCHEMBL905289 1.00 CTSS (0.67) CTSSCTSKALDH1A1KMT2APSENEN
SCHEMBL16710011 1.00 CTSS (0.67) CTSSCTSKALDH1A1KMT2APSENEN
SCHEMBL12189206 1.00 CTSS (0.67) CTSSCTSKALDH1A1KMT2APSENEN
SCHEMBL629960 1.00 CTSS (0.67) CTSSCTSKALDH1A1KMT2APSENEN
Water SCHEMBL5203435 0.98 CTSK (0.69) CTSSCTSKALDH1A1KMT2APSENEN
Water SCHEMBL10884567 0.98 CTSK (0.69) CTSSCTSKALDH1A1KMT2APSENEN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115873034-B Semi-active phosphoramide ligand and preparation method thereof 上海毕臣生化科技有限公司 2025-06-24 CN claimed
CN-120136948-A Cycloastragal derivative with activity of resisting methicillin-resistant staphylococcus aureus and preparation method thereof 山西医科大学 2025-06-13 CN claimed
CN-119528812-B Double amino acid-genipin derivative and preparation method and application thereof 广东工业大学 2025-06-03 CN claimed
US-20250100999-A1 METHODS AND INTERMEDIATES FOR PREPARING THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2025-03-27 US claimed
CN-119528812-A Double amino acid-genipin derivative and preparation method and application thereof 广东工业大学 2025-02-28 CN claimed
WO-2025019172-A1 ANTIMICROBIAL EXTRACTANT FORMED FROM COPPER-CONTAINING SOURCE CORNING INCORPORATED (US) 2025-01-23 WO claimed
CN-119161284-A Pleuromutilin derivative with side chain of natural amino acid amidophenyl derivative, and preparation method and application thereof 华南农业大学 2024-12-20 CN claimed
CN-118684732-A Method for preparing AT-01 by liquid phase fragment condensation 南通大学 2024-09-24 CN claimed
CN-118085005-A 18 Beta-glycyrrhetinic acid derivative and preparation method and application thereof 石河子大学 2024-05-28 CN claimed
CN-117534721-A Preparation method of hederagenin derivative 烟台大学 2024-02-09 CN claimed
US-20050267104-A1 E.g., ({[Acetyl({(5R)-3-[4-(1,1-dioxidotetrahydro-2H-thiopyran4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl}-methyl)amino]carbonyl}oxymethyl acetate; these compounds have potent activity with excellent oral bioavailability against Gram-positive and Gram-negative bacteria PHARMACIA & UPJOHN COMPANY LLC 2005-12-01 US claimed
US-6951946-B2 Large scale synthesis of 1,2,4- and 1,3,4-oxadiazole carboxylates LEXICON PHARMACEUTICALS, INC. (US) 2005-10-04 US claimed
US-20050154211-A1 Large scale synthesis of 1,2,4- and 1,3,4- oxadiazole carboxylates KOLB HARTMUTH C (US) 2005-07-14 US claimed
WO-2005028473-A1 ACYLOXYMETHYLCARBAMATE PRODRUGS OF OXAZOLIDINONES PHARMACIA & UPJOHN COMPANY LLC (US) 2005-03-31 WO claimed
US-20040019215-A1 Large scale synthesis of 1,2,4- and 1,3,4-oxadiazole carboxylates LEXICON PHARMACEUTICALS, INC. 2004-01-29 US claimed
US-5757408-A PRINTING IMAGE ON SUBSTRATE COATED WITH AMINO-ACID DERIVATIVE ADDITIVE; QUICK DRYING OF INK, OPTICAL DENSITY, NONCURLING XEROX CORPORATION (US) 1998-05-26 US claimed
US-5683793-A Ink jet transparencies XEROX CORPORATION (US) 1997-11-04 US claimed
US-5589277-A INK JET PRINTING, AQUEOUS INKS, FAST DRYING XEROX CORPORATION (US) 1996-12-31 US claimed
EP-0667246-A1 Recording sheets containing amino acids, hydroxy acids, and polycarboxyl compounds XEROX CORPORATION (US) 1995-08-16 EP claimed
US-4051171-A Vinylbenzyl esters of N-BOC-amino acids MORTON-NORWICH PRODUCTS, INC. (US) 1977-09-27 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20050267104-A1 E.g., ({[Acetyl({(5R)-3-[4-(1,1-dioxidotetrahydro-2H-thiopyran4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl}-methyl)amino]carbonyl}oxymethyl acetate; these compounds have potent activity with excellent oral bioavailability against Gram-positive and Gram-negative bacteria HDAC3, HDAC1, OGA CTSS 3028/4885CTSK 1988/4885ALDH1A1 591/4885
US-20250100999-A1 METHODS AND INTERMEDIATES FOR PREPARING THERAPEUTIC COMPOUNDS CYP11A1, CYP11B1, CYP11B2 CTSS 728/4885CTSK 1742/4885ALDH1A1 1161/4885
US-20050154211-A1 Large scale synthesis of 1,2,4- and 1,3,4- oxadiazole carboxylates OXA1L, ODC1, CYP4B1 CTSS 2627/4885CTSK 2356/4885ALDH1A1 85/4885
US-20040019215-A1 Large scale synthesis of 1,2,4- and 1,3,4-oxadiazole carboxylates OXA1L, ODC1, CYP4B1 CTSS 2627/4885CTSK 2356/4885ALDH1A1 85/4885

“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.