SCHEMBL2451002

SCHEMBL2451002

N[C@@H](Cc1nc[nH]n1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 3/20 0.49
CYP3A4 P08684 2/20 0.49
PKM P14618 2/20 0.44
ALPI P09923 1/20 0.44
PTGS1 P23219 1/20 0.44
XIAP P98170 1/20 0.44
HSD17B10 Q99714 2/20 0.41
USP2 O75604 2/20 0.41
HIF1A Q16665 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 2/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
BLM P54132 2/20 0.41
PMP22 Q01453 2/20 0.41
KMT2A Q03164 2/20 0.41
RGS12 O14924 1/20 0.41
CYP2C9 P11712 1/20 0.41
ALOX15 P16050 1/20 0.41
NFKB1 P19838 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
SCHEMBL23356093 1.00 SLC7A5 (0.49) SLC7A5CYP3A4PKMALPIPTGS1
SCHEMBL198638 1.00 SLC7A5 (0.49) SLC7A5CYP3A4PKMALPIPTGS1
SCHEMBL2059137 0.81 ALDH1A1 (0.37) SLC7A5CYP3A4ALDH1A1
Hydrochloric Acid SCHEMBL5814493 0.80 ALDH1A1 (0.39) SLC7A5CYP3A4ALDH1A1
SCHEMBL21689933 0.75 SLC7A5 (0.53) SLC7A5CYP3A4PKMALPIPTGS1
SCHEMBL1769036 0.75 SLC7A5 (0.53) SLC7A5CYP3A4PKMALPIPTGS1
SCHEMBL1769034 0.75 SLC7A5 (0.53) SLC7A5CYP3A4PKMALPIPTGS1
Hydrochloric Acid SCHEMBL20502478 0.73 SLC7A5 (0.52) SLC7A5CYP3A4PKMALPIPTGS1
SCHEMBL5828934 0.73 KIF11 (0.38) SLC7A5CYP3A4
SCHEMBL1891367 0.70 GRIA2 (0.50) SLC7A5CYP3A4PKMALPIPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10851119-B2 Boron-containing diacylhydrazines INTREXON CORPORATION (US) 2020-12-01 US disclosed
WO-2020221795-A1 METHODS FOR PRODUCTION OF ERGOTHIONEINE DANMARKS TEKNISKE UNIVERSITET (DK) 2020-11-05 WO disclosed
US-20200157122-A1 BORON-CONTAINING DIACYLHYDRAZINES INTREXON CORP (US) 2020-05-21 US disclosed
EP-3194359-B1 BORON-CONTAINING DIACYLHYDRAZINE COMPOUNDS INTREXON CORP (US) 2020-04-08 EP disclosed
US-10570158-B2 Boron-containing diacylhydrazine compounds INTREXON CORPORATION (US) 2020-02-25 US disclosed
US-10464951-B2 Boron-containing diacylhydrazines INTREXON CORPORATION (US) 2019-11-05 US disclosed
US-10196428-B2 Modification of cupredoxin derived peptides NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2019-02-05 US disclosed
EP-2742153-B1 PROTEIN AND PEPTIDE LIBRARIES MASSACHUSETTS GEN HOSPITAL (US) 2018-09-05 EP disclosed
US-20180201628-A1 Boron-Containing Diacylhydrazine Compounds INTREXON CORP (US) 2018-07-19 US disclosed
EP-2970106-B1 BORON-CONTAINING DIACYLHYDRAZINES INTREXON CORP (US) 2018-05-16 EP disclosed
EP-1307214-A1 HIGHLY HOMOGENEOUS MOLECULAR MARKERS FOR ELECTROPHORESIS INVITROGEN CORPORATION (US) 2003-05-07 EP disclosed
EP-1076563-A4 DIPEPTIDE CASPASE INHIBITORS AND THE USE THEREOF CYTOVIA INC (US) 2003-04-23 EP disclosed
US-20020155455-A1 Highly homogeneous molecular markers for electrophoresis INVITROGEN CORPORATION 2002-10-24 US disclosed
EP-1220869-A1 CASPASE INHIBITORS FOR THE TREATMENT AND PREVENTION OF CHEMOTHERAPY AND RADIATION THERAPY INDUCED CELL DEATH Cytovia, Inc. (US) 2002-07-10 EP disclosed
WO-2002013848-A1 HIGHLY HOMOGENEOUS MOLECULAR MARKERS FOR ELECTROPHORESIS INVITROGEN CORPORATION (US) 2002-02-21 WO disclosed
CN-1297354-A Dipeptide caspase inhibitors and use thereof CYTOVIA INC (US) 2001-05-30 CN disclosed
WO-2001027140-A1 CASPASE INHIBITORS FOR THE TREATMENT AND PREVENTION OF CHEMOTHERAPY AND RADIATION THERAPY INDUCED CELL DEATH CYTOVIA, INC. (US) 2001-04-19 WO disclosed
EP-1076563-A1 DIPEPTIDE CASPASE INHIBITORS AND THE USE THEREOF Cytovia, Inc. (US) 2001-02-21 EP disclosed
US-6153591-A PROTECTING NERVOUS SYSTEM FOLLOWING FOCAL ISCHEMIA AND GLOBAL ISCHEMIA; ALZHEIMER'S DISEASE, HUNTINGTON'S DISEASE, PRION DISEASES, PARKINSON'S DISEASE, MULTIPLE SCLEROSIS, AMYOTROPHIC LATERAL SCLEROSIS, ALOPACIA, RHEUMATOID ARTHRITIS CYTOVIA, INC. (US) 2000-11-28 US disclosed
WO-1999047154-A1 DIPEPTIDE CASPASE INHIBITORS AND THE USE THEREOF CYTOVIA, INC. (US) 1999-09-23 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 (6 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-10464951-B2 Boron-containing diacylhydrazines CD22, BRDT, BCR SLC7A5 762/4885CYP3A4 3689/4885PKM 4563/4885
US-20180201628-A1 Boron-Containing Diacylhydrazine Compounds BRDT, CD22, BCR SLC7A5 487/4885CYP3A4 3536/4885PKM 4561/4885
US-10851119-B2 Boron-containing diacylhydrazines CD22, BRDT, BCR SLC7A5 762/4885CYP3A4 3689/4885PKM 4563/4885
US-20200157122-A1 BORON-CONTAINING DIACYLHYDRAZINES CD22, BRDT, BCR SLC7A5 762/4885CYP3A4 3689/4885PKM 4563/4885
US-10570158-B2 Boron-containing diacylhydrazine compounds BRDT, CD22, BCR SLC7A5 487/4885CYP3A4 3536/4885PKM 4561/4885
US-20020155455-A1 Highly homogeneous molecular markers for electrophoresis CD44, HLA-C, HLA-A SLC7A5 4217/4885CYP3A4 3173/4885PKM 3880/4885

“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.