SCHEMBL12356342

SCHEMBL12356342

COC(=O)CC[C@H](C)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.60
TSHR P16473 3/20 0.52
SLC1A1 P43005 1/20 0.52
GABRR1 P24046 2/20 0.48
LTA4H P09960 1/20 0.42
BLM P54132 1/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ACE2 Q9BYF1 1/20 0.39
LMNA P02545 1/20 0.39
CA12 O43570 2/20 0.39
CA14 Q9ULX7 2/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL1835136 1.00 CYP1A2 (0.60) CYP1A2TSHRSLC1A1GABRR1LTA4H
SCHEMBL1835138 1.00 CYP1A2 (0.60) CYP1A2TSHRSLC1A1GABRR1LTA4H
SCHEMBL233224 0.85 LTA4H (0.56) CYP1A2TSHRSLC1A1GABRR1LTA4H
SCHEMBL3595528 0.84 CYP1A2 (0.62) CYP1A2SLC1A1GABRR1LTA4HBLM
Hydrochloric Acid SCHEMBL1228512 0.84 LTA4H (0.55) CYP1A2TSHRSLC1A1GABRR1LTA4H
SCHEMBL14360056 0.84 LTA4H (0.55) CYP1A2TSHRSLC1A1GABRR1LTA4H
SCHEMBL12951358 0.82 TSHR (0.52) CYP1A2TSHRSLC1A1MEN1KMT2A
SCHEMBL265551 0.82 TSHR (0.52) CYP1A2TSHRSLC1A1MEN1KMT2A
SCHEMBL11062326 0.82 TSHR (0.52) CYP1A2TSHRSLC1A1MEN1KMT2A
SCHEMBL16300949 0.82 TSHR (0.52) CYP1A2TSHRSLC1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240018110-A1 RADIOLABELED COMPOUNDS TARGETING THE PROSTATE-SPECIFIC MEMBRANE ANTIGEN ALPHA-9 ONCOLOGY INC. (CA) 2024-01-18 US disclosed
US-9695112-B2 Method for synthesizing optically active α-amino acid using chiral metal complex comprising axially chiral N-(2-acylaryl)-2-[5,7-dihydro-6H-dibenzo[c,e]azepin-6-yl] acetamide compound and amino acid HAMARI CHEMICALS, LTD. (JP) 2017-07-04 US disclosed
US-20160237043-A1 KDM1A INHIBITORS FOR THE TREATMENT OF DISEASE IMAGO BIOSCIENCES, INC. 2016-08-18 US disclosed
US-20160102045-A1 METHOD FOR SYNTHESIZING OPTICALLY ACTIVE a-AMINO ACID USING CHIRAL METAL COMPLEX COMPRISING AXIALLY CHIRAL N-(2-ACYLARYL)-2-[5,7-DIHYDRO-6H-DIBENZO[c,e]AZEPIN-6-YL] ACETAMIDE COMPOUND AND AMINO ACID HAMARI CHEMICALS, LTD. (JP) 2016-04-14 US disclosed
US-8580823-B2 Piperidine renin inhibitors VITAE PHARMACEUTICALS, INC. (US) 2013-11-12 US disclosed
US-7998965-B2 Glutamate aggrecanase inhibitors WYETH LLC (US) 2011-08-16 US disclosed
EP-2230312-A1 Probe compound for detecting and isolating enzymes and means and methods using the same Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2010-09-22 EP disclosed
US-20100010012-A1 GLUTAMATE AGGRECANASE INHIBITORS WYETH (US) 2010-01-14 US disclosed
US-7553873-B2 Glutamate aggrecanase inhibitors WYETH (US) 2009-06-30 US disclosed
US-7528127-B2 Short-acting benzodiazepines CENES LIMITED (GB) 2009-05-05 US disclosed
US-7485635-B2 Short-acting benzodiazepines CENES LIMITED (GB) 2009-02-03 US disclosed
US-7473689-B2 Short-acting benzodiazepines CENES LIMITED (GB) 2009-01-06 US disclosed
US-7435730-B2 Short-acting benzodiazepines CENES LIMITED (GB) 2008-10-14 US disclosed
US-20070135420-A1 e.g. Methyl 3-[(4S)-8-bromo-1-methyl-6-(2-pyridinyl)-4H-pyrro[1,2-a][1,4]benzodiazepin-4-yl]propanoate; GABAA (gamma aminobutiric acid) receptor antagonist; sedative-hypnotic, anxiolytic, muscle relaxant and anticonvulsant; anesthesia CENES LIMITED (GB) 2007-06-14 US disclosed
US-20070135419-A1 Short-acting benzodiazepines CENES LIMITED (GB) 2007-06-14 US disclosed
US-20070135421-A1 Short-acting benzodiazepines CENES LIMITED (GB) 2007-06-14 US disclosed
US-20070093475-A1 Short-acting benzodiazepines CENES LIMITED (GB) 2007-04-26 US disclosed
US-20070043066-A1 Glutamate aggrecanase inhibitors WYETH (US) 2007-02-22 US disclosed
US-7160880-B1 Short-acting benzodiazepines CENES LIMITED (GB) 2007-01-09 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 (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-20100010012-A1 GLUTAMATE AGGRECANASE INHIBITORS ADAMTS5, ADAMTS1, ADAMTS7 CYP1A2 4799/4885TSHR 3570/4885SLC1A1 60/4885
US-20070093475-A1 Short-acting benzodiazepines GABRA5, GABRA1, GABRA6 CYP1A2 39/4885TSHR 581/4885SLC1A1 425/4885
US-20070135420-A1 e.g. Methyl 3-[(4S)-8-bromo-1-methyl-6-(2-pyridinyl)-4H-pyrro[1,2-a][1,4]benzodiazepin-4-yl]propanoate; GABAA (gamma aminobutiric acid) receptor antagonist; sedative-hypnotic, anxiolytic, muscle relaxant and anticonvulsant; anesthesia GABRA1, GABRA2, GABRA6 CYP1A2 60/4885TSHR 495/4885SLC1A1 389/4885
US-20240018110-A1 RADIOLABELED COMPOUNDS TARGETING THE PROSTATE-SPECIFIC MEMBRANE ANTIGEN KLK3, FOLH1, TMEM14C CYP1A2 4564/4885TSHR 1149/4885SLC1A1 1090/4885
US-20070135419-A1 Short-acting benzodiazepines GABRA5, GABRA1, GABRA6 CYP1A2 39/4885TSHR 581/4885SLC1A1 425/4885
US-20160102045-A1 METHOD FOR SYNTHESIZING OPTICALLY ACTIVE a-AMINO ACID USING CHIRAL METAL COMPLEX COMPRISING AXIALLY CHIRAL N-(2-ACYLARYL)-2-[5,7-DIHYDRO-6H-DIBENZO[c,e]AZEPIN-6-YL] ACETAMIDE COMPOUND AND AMINO ACID AADAT, ALDH7A1, BCAT1 CYP1A2 857/4885TSHR 4329/4885SLC1A1 111/4885
US-20160237043-A1 KDM1A INHIBITORS FOR THE TREATMENT OF DISEASE KDM1B, KDM1A, KDM2A CYP1A2 3176/4885TSHR 4247/4885SLC1A1 3052/4885
US-20070135421-A1 Short-acting benzodiazepines GABRA5, GABRA1, GABRA6 CYP1A2 39/4885TSHR 581/4885SLC1A1 425/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 CYP1A2 4799/4885TSHR 3570/4885SLC1A1 60/4885

“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.