SCHEMBL2867580

SCHEMBL2867580

COC(=O)[C@H](CCOS(C)(=O)=O)NC(=O)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KYNU Q16719 1/20 0.55
ALDH1A1 P00352 1/20 0.53
ALOX15 P16050 1/20 0.53
SIRT2 Q8IXJ6 1/20 0.51
SIRT1 Q96EB6 1/20 0.51
SIRT3 Q9NTG7 1/20 0.51
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CTSK P43235 5/20 0.49
CTSS P25774 4/20 0.48
CTSL P07711 3/20 0.48
CTSB P07858 2/20 0.48
CASP1 P29466 1/20 0.47
TRPM8 Q7Z2W7 1/20 0.47
TACR1 P25103 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
SCHEMBL20556402 1.00 KYNU (0.55) KYNUALDH1A1ALOX15SIRT2SIRT1
SCHEMBL28723315 0.91 CTSK (0.50) KYNUALDH1A1ALOX15SIRT2SIRT1
SCHEMBL28723314 0.91 CTSK (0.50) KYNUALDH1A1ALOX15SIRT2SIRT1
SCHEMBL4971022 0.88 KYNU (0.57) KYNUALDH1A1ALOX15CTSKCTSS
SCHEMBL29262796 0.86 KYNU (0.64) KYNUALDH1A1ALOX15SIRT2SIRT1
SCHEMBL22637635 0.86 KYNU (0.64) KYNUALDH1A1ALOX15SIRT2SIRT1
SCHEMBL23000174 0.85 CA2 (0.50) CA1CA2CTSKCTSSCTSL
SCHEMBL20553378 0.85 CA2 (0.50) CA1CA2CTSKCTSSCTSL
SCHEMBL24012785 0.84 CTRB1 (0.50) KYNUALDH1A1ALOX15CA1CA2
SCHEMBL8671689 0.84 SIRT2 (0.53) SIRT2SIRT1CTSKCTSSCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024198077-A1 AMINO ACID DERIVATIVE AND PREPARATION METHOD THEREFOR, AND METHOD FOR USING AMINO ACID DERIVATIVE AS INTERMEDIATE TO SYNTHESIZE L-GLUFOSINATE-AMMONIUM 南京华狮新材料有限公司 2024-10-03 WO disclosed
CN-118724766-A Amino acid derivative, preparation method thereof and method for synthesizing L-glufosinate-ammonium as intermediate 南京华狮新材料有限公司 2024-10-01 CN disclosed
EP-3377473-B1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2024-06-19 EP disclosed
US-20230133817-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2023-05-04 US disclosed
US-20180327367-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS WUXI APPTEC CO., LTD (CN) 2018-11-15 US disclosed
US-7750162-B2 Process for preparation of nonnatural amino acid and intermediate thereof DAISO CO., LTD. (JP) 2010-07-06 US disclosed
US-20070208180-A1 Process for Preparation of Nonnatural Amino Acid and Intermediate Thereof DAISO CO., LTD. (JP) 2007-09-06 US disclosed
EP-1739077-A1 PROCESS FOR PRODUCTION OF NONNATURAL AMINO ACIDS AND INTERMEDIATES THEREFOR DAISO CO., LTD. (JP) 2007-01-03 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 (3 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-20070208180-A1 Process for Preparation of Nonnatural Amino Acid and Intermediate Thereof BCAT1, BCAT2, AADAT KYNU 32/4885ALDH1A1 852/4885ALOX15 607/4885
US-20180327367-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS MRPL21, PEPD, CTSC KYNU 2204/4885ALDH1A1 2364/4885ALOX15 3654/4885
US-20230133817-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS MRPL21, PEPD, CTSC KYNU 2204/4885ALDH1A1 2364/4885ALOX15 3654/4885

“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.