SCHEMBL6946685

SCHEMBL6946685

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
KMT2A Q03164 2/20 0.43
CA12 O43570 1/20 0.41
CA14 Q9ULX7 1/20 0.41
KDM4E B2RXH2 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
CYP2D6 P10635 1/20 0.41
EPHX2 P34913 1/20 0.40
CTSK P43235 8/20 0.39
CTSS P25774 4/20 0.39
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL9744200 0.89 CA1 (0.50) CA1CA2CA7KMT2ACA12
SCHEMBL23607312 0.83 CA1 (0.52) CA1CA2CA7KMT2ACA12
SCHEMBL1689249 0.83 CA1 (0.52) CA1CA2CA7KMT2ACA12
SCHEMBL23849248 0.83 CA1 (0.52) CA1CA2CA7KMT2ACA12
SCHEMBL19209667 0.81 CA1 (0.45) CA1CA2CA7KMT2ACA12
SCHEMBL709981 0.81 CA14 (0.59) CA1CA2CA7KMT2ACA12
SCHEMBL2380555 0.81 CA14 (0.59) CA1CA2CA7KMT2ACA12
SCHEMBL241988 0.81 CA14 (0.59) CA1CA2CA7KMT2ACA12
Hydrochloric Acid SCHEMBL29367798 0.79 CA14 (0.57) CA1CA2CA7KMT2ACA12
SCHEMBL28851533 0.78 CA1 (0.47) CA1CA2CA7KMT2ACA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0847994-B1 Process for the preparation of mixed anhydrides HOFFMANN LA ROCHE (CH) 2003-04-09 EP claimed
US-20020077481-A1 Process for the preparation of mixed anhydrides KARPF MARTIN (CH) 2002-06-20 US claimed
US-20240368125-A1 NOVEL PYRAZINYL-TRIAZOLE COMPOUNDS AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2024-11-07 US disclosed
EP-2385050-A1 A process for preparing a substituted oxazole Schering Corporation (US) 2011-11-09 EP disclosed
EP-2385051-A1 Process for making a substituted oxazole Schering Corporation (US) 2011-11-09 EP disclosed
US-7985860-B2 Process and intermediates for the synthesis of 2-(quinolin-5-yl)-4,5 disubstituted-azole derivatives SCHERING CORPORATION (US) 2011-07-26 US disclosed
US-7985860-B2 Process and intermediates for the synthesis of 2-(quinolin-5-yl)-4,5 disubstituted-azole derivatives SCHERING CORPORATION (US) 2011-07-26 US disclosed
US-20100324295-A1 PROCESS FOR THE PRODUCTION OF SUBSTITUTED 5-QUINOLYL-OXAZOLES AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF SCHERING CORPORATION 2010-12-23 US disclosed
US-20100324295-A1 PROCESS FOR THE PRODUCTION OF SUBSTITUTED 5-QUINOLYL-OXAZOLES AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF SCHERING CORPORATION 2010-12-23 US disclosed
US-20080045718-A1 Process and intermediates for the synthesis of 2-(quinolin-5-yl)-4,5 disubstituted-azole derivatives MERCK SHARP & DOHME CORP. 2008-02-21 US disclosed
US-20080045718-A1 Process and intermediates for the synthesis of 2-(quinolin-5-yl)-4,5 disubstituted-azole derivatives MERCK SHARP & DOHME CORP. 2008-02-21 US disclosed
US-6562977-B2 For use in the synthesis of peptides and/or for the manufacture of pharmaceutically active substances or corresponding intermediates HOFFMANN-LA ROCHE INC. 2003-05-13 US disclosed
US-6489479-B1 THE PRESENT INVENTION IS CONCERNED WITH AN IMPROVED PROCESS FOR THE MANUFACTURE OF MIXED ANHYDRIDES. THE PROCESS COMPRISES ADDING AN ADJUVANT BASE TO A MIXTURE OF ACID AND REACTIVE ACID DERIVATIVE. IT IS ESPECIALLY SUITABLE FOR USE IN THE HOFFMAN-LA ROCHE INC. 2002-12-03 US disclosed
US-20020077481-A1 Process for the preparation of mixed anhydrides KARPF MARTIN (CH) 2002-06-20 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 (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-20100324295-A1 PROCESS FOR THE PRODUCTION OF SUBSTITUTED 5-QUINOLYL-OXAZOLES AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF PDE4B, PDE4A, PDE3B CA1 2985/4885CA2 876/4885CA7 425/4885
US-20020077481-A1 Process for the preparation of mixed anhydrides CA1, CA14, CA12 CA1 1/4885CA2 9/4885CA7 5/4885
US-20240368125-A1 NOVEL PYRAZINYL-TRIAZOLE COMPOUNDS AS PESTICIDES PRDX1, PRDX5, PRXL2A CA1 4244/4885CA2 4128/4885CA7 4687/4885
US-20080045718-A1 Process and intermediates for the synthesis of 2-(quinolin-5-yl)-4,5 disubstituted-azole derivatives PDE4B, PDE4A, PDE3B CA1 2955/4885CA2 491/4885CA7 356/4885

“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.