SCHEMBL2029113

SCHEMBL2029113

Nc1nc(=O)c2nc(CN(C(=O)[C@@H](N)CCC(=O)O)c3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cnc2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 8/20 0.54
GART P22102 5/20 0.54
TYMS P04818 4/20 0.54
ATIC P31939 3/20 0.54
KDM4E B2RXH2 2/20 0.54
MEN1 O00255 2/20 0.54
ALDH1A1 P00352 2/20 0.54
POLB P06746 2/20 0.54
HPGD P15428 2/20 0.54
KMT2A Q03164 2/20 0.54
HSD17B10 Q99714 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
GAA P10253 1/20 0.54
AKR1B1 P15121 1/20 0.54
TSHR P16473 1/20 0.54
PTGS2 P35354 1/20 0.54
TLR4 O00206 1/20 0.54
LMNA P02545 1/20 0.54
TP53 P04637 1/20 0.54
GLA P06280 1/20 0.54

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
SCHEMBL28379436 0.92 DHFR (0.54) DHFRGARTTYMSATICKDM4E
SCHEMBL28344641 0.92 DHFR (0.57) DHFRGARTTYMSATICKDM4E
SCHEMBL16583122 0.92 DHFR (0.57) DHFRGARTTYMSATICKDM4E
SCHEMBL28885296 0.91 DHFR (0.56) DHFRGARTTYMSATICKDM4E
SCHEMBL29190442 0.90 DHFR (0.57) DHFRGARTTYMSATICKDM4E
SCHEMBL28151272 0.89 DHFR (0.55) DHFRGARTTYMSATICKDM4E
SCHEMBL338037 0.89 DHFR (0.57) DHFRGARTTYMSATICKDM4E
SCHEMBL9771346 0.89 DHFR (0.54) DHFRGARTTYMSATICKDM4E
SCHEMBL25167471 0.88 DHFR (0.57) DHFRGARTTYMSATICKDM4E
SCHEMBL869876 0.88 DHFR (0.57) DHFRGARTTYMSATICKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101903037-A Method of administering conjugates ENDOCYTE INC 2010-12-01 CN claimed
US-20080248553-A1 Production of Bioavailable Folic Acid CAMPINA B.V. (NL) 2008-10-09 US claimed
US-20040214261-A1 Production of bioavailable folic acid CAMPINA B.V. (NL) 2004-10-28 US claimed
EP-1392816-A1 PRODUCTION OF BIOAVAILABLE FOLIC ACID Stichting Top-Instituut Voedselwetenschappen (NL) 2004-03-03 EP claimed
WO-2002097063-A1 PRODUCTION OF BIOAVAILABLE FOLIC ACID CAMPINA B.V. (NL) 2002-12-05 WO claimed
EP-1262541-A1 Production of bioavailable folic acid Stichting Top-Instituut Voedselwetenschappen (NL) 2002-12-04 EP claimed
US-12263192-B2 Compositions for management of disorders of the gastrointestinal tract PANTHERYX, INC. (US) 2025-04-01 US disclosed
CN-110730908-B Engineered cells expressing Prostate Specific Membrane Antigen (PSMA) or modified versions thereof and related methods 朱诺治疗学股份有限公司 2025-01-21 CN disclosed
WO-2022235976-A1 MULTITARGETING RNA COMPOSITIONS SYSTEMS ONCOLOGY, LLC (US) 2022-11-10 WO disclosed
US-20220047646-A1 COMPOSITIONS FOR MANAGEMENT OF DISORDERS OF THE GASTROINTESTINAL TRACT PANTHERYX, INC. 2022-02-17 US disclosed
US-20210254046-A1 GENERATION OF SYNTHETIC GENOMES ETONBIO, INC. 2021-08-19 US disclosed
US-11085037-B2 Generation of synthetic genomes CODEX DNA, INC. (US) 2021-08-10 US disclosed
EP-3714906-A1 TREATMENT OF PROLIFERATIVE DISORDERS USING RADIOLABELLED ANTIBODIES TO PSMA Cornell University (US) 2020-09-30 EP disclosed
WO-2002097063-A1 PRODUCTION OF BIOAVAILABLE FOLIC ACID CAMPINA B.V. (NL) 2002-12-05 WO disclosed
WO-2002097063-A1 PRODUCTION OF BIOAVAILABLE FOLIC ACID CAMPINA B.V. (NL) 2002-12-05 WO disclosed
EP-1262541-A1 Production of bioavailable folic acid Stichting Top-Instituut Voedselwetenschappen (NL) 2002-12-04 EP disclosed
EP-1262541-A1 Production of bioavailable folic acid Stichting Top-Instituut Voedselwetenschappen (NL) 2002-12-04 EP disclosed
WO-2002076937-A2 AMINOBENZOPYRAN DERIVATIVES AND COMPOSITIONS SONUS PHARMACEUTICALS, INC. (US) 2002-10-03 WO disclosed
US-20020009734-A1 Mutations in human glutamate carboxypeptidase II gene impacting folate metabolism, and detection of affected individuals NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2002-01-24 US disclosed
WO-2001068897-A2 MUTATIONS IN HUMAN GLUTAMATE CARBOXYPEPTIDASE II GENE IMPACTING FOLATE METABOLISM, AND DETECTION OF AFFECTED INDIVIDUALS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2001-09-20 WO disclosed