SCHEMBL4346138

SCHEMBL4346138

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

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KYNU Q16719 1/20 0.63
ALDH1A1 P00352 1/20 0.61
ALOX15 P16050 1/20 0.61
CTSK P43235 5/20 0.56
CTSS P25774 4/20 0.55
CTSL P07711 3/20 0.55
CTSB P07858 3/20 0.55
TRPM8 Q7Z2W7 1/20 0.54
TACR1 P25103 2/20 0.53
CTRB1 P17538 2/20 0.52
ATM Q13315 1/20 0.52

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
SCHEMBL2115471 1.00 KYNU (0.63) KYNUALDH1A1ALOX15CTSKCTSS
SCHEMBL3258258 1.00 KYNU (0.63) KYNUALDH1A1ALOX15CTSKCTSS
Hydrochloric Acid SCHEMBL3258256 0.99 KYNU (0.62) KYNUALDH1A1ALOX15CTSKCTSS
Hydrochloric Acid SCHEMBL3603216 0.99 KYNU (0.62) KYNUALDH1A1ALOX15CTSKCTSS
Hydrochloric Acid SCHEMBL3603219 0.99 KYNU (0.62) KYNUALDH1A1ALOX15CTSKCTSS
Trifluoroacetic Acid SCHEMBL5729191 0.93 ALDH1A1 (0.58) KYNUALDH1A1ALOX15CTSKCTSS
SCHEMBL29521405 0.91 CTSK (0.56) KYNUALDH1A1ALOX15CTSKCTSS
SCHEMBL29017554 0.91 CTSK (0.56) KYNUALDH1A1ALOX15CTSKCTSS
SCHEMBL30437751 0.91 CTSK (0.56) KYNUALDH1A1ALOX15CTSKCTSS
Hydrochloric Acid SCHEMBL6933213 0.90 CTSK (0.54) KYNUALDH1A1ALOX15CTSKCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220213117-A1 PRODRUGS OF MODULATORS OF THE NMDA RECEPTOR H. LUNDBECK A/S (DK) 2022-07-07 US disclosed
WO-2022129041-A1 PRODRUGS OF 3-BENZOAMIDO-2-AMINOPROPIONIC ACID DERIVATIVES AS MODULATORS OF THE NMDA RECEPTOR H. LUNDBECK A/S (DK) 2022-06-23 WO disclosed
WO-2022129041-A1 PRODRUGS OF 3-BENZOAMIDO-2-AMINOPROPIONIC ACID DERIVATIVES AS MODULATORS OF THE NMDA RECEPTOR H. LUNDBECK A/S (DK) 2022-06-23 WO disclosed
US-11358971-B2 Prodrugs of modulators of the NMDA receptor H. LUNDBECK A/S (DK) 2022-06-14 US disclosed
EP-3994140-A1 PRODRUGS OF MODULATORS OF THE NMDA RECEPTOR H. Lundbeck A/S (DK) 2022-05-11 EP disclosed
CN-114008053-A Prodrugs of NMDA receptor modulators H.隆德贝克有限公司 2022-02-01 CN disclosed
US-20210047342-A1 PRODRUGS OF MODULATORS OF THE NMDA RECEPTOR H. LUNDBECK A/S (DK) 2021-02-18 US disclosed
US-10227331-B2 Metallo-β-lactamase inhibitors MERCK SHARP & DOHME CORP. (US) 2019-03-12 US disclosed
US-20180179190-A1 METALLO-BETA-LACTAMASE INHIBITORS Marck Sharp & Dohme Corp. (US) 2018-06-28 US disclosed
US-8487108-B2 Piperidinyl carbamate intermediates for the synthesis of aspartic protease inhibitors VITAE PHARMACEUTICALS, INC. (US) 2013-07-16 US disclosed
US-8487108-B2 Piperidinyl carbamate intermediates for the synthesis of aspartic protease inhibitors VITAE PHARMACEUTICALS, INC. (US) 2013-07-16 US disclosed
US-20100048636-A1 Aspartic Protease Inhibitors VITAE PHARMACEUTICALS, INC. 2010-02-25 US disclosed
US-20090286791-A1 Amide Compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-19 US disclosed
US-20090275570-A1 SUBSTITUTED HETEROCYCLES AND THEIR USE AS CHK1, PDK1 AND PAK INHIBITORS ASTRAZENECA AB (SE) 2009-11-05 US disclosed
WO-2007070201-A1 ASPARTIC PROTEASE INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-06-21 WO disclosed
US-20040072860-A1 Piperazin-2-one amides as inhibitors of factor xa MILLENNIUM PHARMACEUTICALS, INC. 2004-04-15 US disclosed
EP-1322643-A1 PIPERAZIN-2-ONE AMIDES AS INHIBITORS OF FACTOR XA Millennium Pharmaceuticals, Inc. (US) 2003-07-02 EP disclosed
WO-2002026734-A1 PIPERAZIN-2-ONE AMIDES AS INHIBITORS OF FACTOR Xa COR THERAPEUTICS, INC. (US) 2002-04-04 WO 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 (9 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-20100048636-A1 Aspartic Protease Inhibitors DNPEP, PEPD, SERPINB1 KYNU 571/4885ALDH1A1 1416/4885ALOX15 2104/4885
US-20090275570-A1 SUBSTITUTED HETEROCYCLES AND THEIR USE AS CHK1, PDK1 AND PAK INHIBITORS CHEK1, PDK1, CHEK2 KYNU 3973/4885ALDH1A1 1677/4885ALOX15 4224/4885
US-20090286791-A1 Amide Compounds DLAT, DGAT2, DGAT1 KYNU 4016/4885ALDH1A1 231/4885ALOX15 1325/4885
US-11358971-B2 Prodrugs of modulators of the NMDA receptor GRIN3A, GRIN1, GRIN2A KYNU 53/4885ALDH1A1 2194/4885ALOX15 2137/4885
US-20040072860-A1 Piperazin-2-one amides as inhibitors of factor xa F2, TFPI, TFPI2 KYNU 1960/4885ALDH1A1 1970/4885ALOX15 2717/4885
US-20210047342-A1 PRODRUGS OF MODULATORS OF THE NMDA RECEPTOR GRIN3A, GRIN1, GRIN2A KYNU 53/4885ALDH1A1 2194/4885ALOX15 2137/4885
US-10227331-B2 Metallo-β-lactamase inhibitors ALPI, GAA, ZFX KYNU 2481/4885ALDH1A1 310/4885ALOX15 1155/4885
US-20180179190-A1 METALLO-BETA-LACTAMASE INHIBITORS ALPI, GAA, ZFX KYNU 2465/4885ALDH1A1 319/4885ALOX15 1105/4885
US-20220213117-A1 PRODRUGS OF MODULATORS OF THE NMDA RECEPTOR GRIN3A, GRIN1, GRIN2A KYNU 53/4885ALDH1A1 2194/4885ALOX15 2137/4885

“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.