SCHEMBL313780

SCHEMBL313780

COC(=O)[C@H](CO)NC(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HTT P42858 1/20 0.47
CTSK P43235 9/20 0.46
CTSS P25774 5/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CTSL P07711 2/20 0.44
CTSB P07858 1/20 0.44
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
KLK5 Q9Y337 1/20 0.43
CA12 O43570 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CYP2D6 P10635 1/20 0.41

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
SCHEMBL3617926 1.00 CYP1A2 (0.47) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL313779 1.00 CYP1A2 (0.47) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL11173165 0.91 CYP1A2 (0.48) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL1846647 0.91 CYP1A2 (0.48) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL2531297 0.91 CYP1A2 (0.48) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL15214454 0.87 KLK5 (0.41) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL800751 0.87 KMT2A (0.44) CYP2C9CYP2C19CTSKCTSSCA1
SCHEMBL12555978 0.87 KMT2A (0.44) CYP2C9CYP2C19CTSKCTSSCA1
SCHEMBL2555252 0.87 KMT2A (0.44) CYP2C9CYP2C19CTSKCTSSCA1
SCHEMBL18220550 0.87 KMT2A (0.44) CYP2C9CYP2C19CTSKCTSSCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120025261-A Synthesis method of 2-aminoacyl substituted L-phenylalanine 康化(上海)新药研发有限公司 2025-05-23 CN claimed
CN-120004764-A Preparation method of amino acid tert-butyl ether 四川什邡市三高生化实业有限公司 2025-05-16 CN claimed
CN-118772027-A Preparation method of L-selenium-methyl selenocysteine 江苏惠利生物科技有限公司 2024-10-15 CN claimed
CN-118108576-A Method for removing tetrahydropyran protecting groups on alcohols and phenols 南京工业大学 2024-05-31 CN claimed
CN-118026866-A Synthesis of 4-chlorokynurenine and intermediates 维斯塔津治疗公司 2024-05-14 CN claimed
CN-112236412-B Synthesis of 4-chlorokynurenine and intermediates 维斯塔津治疗公司 2024-01-30 CN claimed
CN-116903552-A Chiral alpha-amino alcohol compound and preparation method and application thereof 上海大学 2023-10-20 CN claimed
EP-3749638-B1 SYNTHESIS OF 4-CHLOROKYNURENINES AND INTERMEDIATES VISTAGEN THERAPEUTICS INC (US) 2023-04-05 EP claimed
US-11427530-B2 Synthesis of 4-chlorokynurenines and intermediates VISTAGEN THERAPEUTICS, INC. (US) 2022-08-30 US claimed
CN-111909067-B Organic total synthesis method of D-penicillamine 浙江凯普化工有限公司 2022-03-15 CN claimed
CN-111909067-A Organic total synthesis method of D-penicillamine 浙江凯普化工有限公司 2020-11-10 CN claimed
CN-108047268-B 1-aza-5-gera-5-alkyl bicyclo [3.3.3] undecane compound, synthesis method and application 中国科学技术大学 2020-05-01 CN claimed
CN-105209439-A Process for manufacture of gadofosveset trisodium monohydrate LANTHEUS MEDICAL IMAGING INC 2015-12-30 CN claimed
CN-103601706-B Method for synthesizing natural product Jaspine B isomer UNIV JIANGXI NORMAL SCI & TECH 2015-07-01 CN claimed
CN-103601706-A Method for synthesizing natural product Jaspine B isomer UNIV JIANGXI NORMAL SCI & TECH 2014-02-26 CN claimed
EP-4746969-A1 HETEROCYCLIC PAD4 INHIBITORS Bristol-Myers Squibb Company (US) 2026-05-27 EP disclosed
US-12624053-B2 Ras inhibitors Revolution Medicines, Inc. (US) 2026-05-12 US disclosed
US-4652676-A L-aminodicarboxylic acid alkenes GENERAL FOODS CORPORATION (US) 1987-03-24 US disclosed
EP-0201844-A1 L-Aminodicarboxylic acid alkenes and an edible composition containing same GENERAL FOODS CORPORATION (US) 1986-11-20 EP disclosed
US-4401658-A VACCINE ADJUVANTS, IMMUNOSTIMULANTS RHONE-POULENC SANTE (FR) 1983-08-30 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-12624053-B2 Ras inhibitors KRAS, NRAS, HMGCR CYP1A2 1927/4885CYP2C9 853/4885CYP2C19 1032/4885
US-11427530-B2 Synthesis of 4-chlorokynurenines and intermediates KMO, KYNU, AADAT CYP1A2 119/4885CYP2C9 120/4885CYP2C19 175/4885

“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.