SCHEMBL4412844

SCHEMBL4412844

CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.59
ALDH1A1 P00352 4/20 0.59
CNR2 P34972 7/20 0.58
MEN1 O00255 1/20 0.56
CYP1A2 P05177 1/20 0.56
KMT2A Q03164 1/20 0.56
PSMB8 P28062 1/20 0.55
PSMB5 P28074 1/20 0.55
KDM4E B2RXH2 1/20 0.55
CNR1 P21554 1/20 0.54
HPGD P15428 2/20 0.54
MAPT P10636 1/20 0.53
MBTPS1 Q14703 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
SCHEMBL4412847 1.00 POLB (0.59) POLBALDH1A1CNR2MEN1CYP1A2
SCHEMBL10432164 1.00 POLB (0.59) POLBALDH1A1CNR2MEN1CYP1A2
Alanine SCHEMBL1679645 0.94 POLB (0.54) POLBALDH1A1CNR2MEN1CYP1A2
SCHEMBL7361586 0.91 ALDH1A1 (0.67) POLBALDH1A1MEN1KMT2AHPGD
SCHEMBL31186640 0.89 ALDH1A1 (0.56) POLBALDH1A1CNR2MEN1CYP1A2
SCHEMBL9832132 0.89 POLB (0.52) POLBALDH1A1CNR2MEN1CYP1A2
SCHEMBL9832138 0.89 POLB (0.52) POLBALDH1A1CNR2MEN1CYP1A2
SCHEMBL16114948 0.88 POLB (0.58) POLBALDH1A1CNR2MEN1CYP1A2
SCHEMBL10417010 0.88 POLB (0.58) POLBALDH1A1CNR2MEN1CYP1A2
SCHEMBL6138095 0.88 POLB (0.58) POLBALDH1A1CNR2MEN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230064307-A1 Pharmaceutical composition to destabilize abnormal methylation enzymes and use thereof LIAU MING C (US) 2023-03-02 US claimed
US-20220221433-A1 MASS SPECTROMETRY ASSAY METHODS FOR DETECTION OF METABOLITES METABOLON, INC. 2022-07-14 US claimed
EP-3977112-A1 MASS SPECTROMETRY ASSAY METHODS FOR DETECTION OF METABOLITES Metabolon Inc. (US) 2022-04-06 EP claimed
CN-113892029-A Mass spectrometry method for detecting metabolites 梅塔博隆股份有限公司 2022-01-04 CN claimed
WO-2020242744-A1 MASS SPECTROMETRY ASSAY METHODS FOR DETECTION OF METABOLITES METABOLON, INC. (US) 2020-12-03 WO claimed
EP-0951464-B1 N-(ARYL/HETEROARYLACETYL) AMINO ACID ESTERS, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, AND METHODS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS BY USE OF SUCH COMPOUNDS ELAN PHARM INC (US) 2005-05-11 EP claimed
EP-1494700-A2 CASPASE INHIBITORS FOR THE TREATMENT OF DISEASES AND CONDITIONS CAUSED BY EXPOSURE TO RADIONUCLIDES, BIOLOGICAL AGENTS, OR CHEMICAL AGENTS Cytovia, Inc. (US) 2005-01-12 EP claimed
WO-2004002401-A2 CASPASE INHIBITORS FOR THE TREATMENT OF DISEASES AND CONDITIONS CAUSED BY EXPOSURE TO RADIONUCLIDES, BIOLOGICAL AGENTS, OR CHEMICAL AGENTS CYTOVIA, INC. (US) 2004-01-08 WO claimed
EP-0521827-B1 Pharmacological active hydrazin derivatives and process for their preparation CIBA GEIGY AG (CH) 1996-09-25 EP claimed
JP-5201945-A None JP disclosed
US-20230257388-A1 GRANZYME B DIRECTED IMAGING AND THERAPY CYTOSITE BIOPHARMA INC. (US) 2023-08-17 US disclosed
US-11667645-B2 Granzyme B directed imaging and therapy CYTOSITE BIOPHARMA INC. (US) 2023-06-06 US disclosed
US-20230064307-A1 Pharmaceutical composition to destabilize abnormal methylation enzymes and use thereof LIAU MING C (US) 2023-03-02 US disclosed
US-20220221433-A1 MASS SPECTROMETRY ASSAY METHODS FOR DETECTION OF METABOLITES METABOLON, INC. 2022-07-14 US disclosed
CN-1068333-A Has hydrazine analog derivative of pharmacologically active and preparation method thereof CIBA GEIGY AG (CH) 1993-01-27 CN disclosed
EP-0521827-A1 Pharmacological active hydrazin derivatives and process for their preparation CIBA-GEIGY AG (CH) 1993-01-07 EP disclosed
EP-0226304-B1 COMPOSITION CONTAINING A PENEM OR CARBAPENEM ANTIBIOTIC SANKYO COMPANY LIMITED (JP) 1991-08-28 EP disclosed
US-4757066-A Reduces renal toxicity SANKYO COMPANY LIMITED (JP) 1988-07-12 US disclosed
EP-0226304-A1 Composition containing a penem or carbapenem antibiotic SANKYO COMPANY LIMITED (JP) 1987-06-24 EP disclosed
US-4638086-A BENZOIC OR PHENYLACETIC ACID OR DERIVATIVES HOECHST AKTIENGESELLSCHAFT (DE) 1987-01-20 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 (2 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-20230257388-A1 GRANZYME B DIRECTED IMAGING AND THERAPY GZMB, PRF1, CTSB POLB 684/4885ALDH1A1 4592/4885CNR2 4559/4885
US-11667645-B2 Granzyme B directed imaging and therapy GZMB, PRF1, CTSB POLB 684/4885ALDH1A1 4592/4885CNR2 4559/4885

“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.