SCHEMBL76036

SCHEMBL76036

O=C(O)Cc1ccccc1CBr

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.61
TDP1 Q9NUW8 1/20 0.53
BCAT2 O15382 1/20 0.47
CXCL8 P10145 5/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP1A2 P05177 1/20 0.46
MAPT P10636 1/20 0.46
PTGS1 P23219 2/20 0.43
ABCC4 O15439 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
PTGS2 P35354 2/20 0.43
AKR1B10 O60218 1/20 0.43
UGT1A9 O60656 1/20 0.43
TRPA1 O75762 1/20 0.43
ABCB11 O95342 1/20 0.43
MT-CO2 P00403 1/20 0.43
TTR P02766 1/20 0.43

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
SCHEMBL30359 0.88 AKR1B1 (0.76) AKR1B1TDP1BCAT2CXCL8KDM4E
SCHEMBL29410826 0.88 AKR1B1 (0.76) AKR1B1TDP1BCAT2CXCL8KDM4E
Hydrochloric Acid SCHEMBL9621764 0.85 AKR1B1 (0.73) AKR1B1TDP1BCAT2CXCL8KDM4E
Hydrochloric Acid SCHEMBL6767821 0.85 AKR1B1 (0.73) AKR1B1TDP1BCAT2CXCL8KDM4E
Hydrogen Sulfide SCHEMBL27426416 0.85 AKR1B1 (0.73) AKR1B1TDP1BCAT2CXCL8KDM4E
SCHEMBL28842838 0.85 AKR1B1 (0.73) AKR1B1TDP1BCAT2CXCL8KDM4E
Iodide SCHEMBL31305035 0.85 AKR1B1 (0.73) AKR1B1TDP1BCAT2CXCL8KDM4E
SCHEMBL9336233 0.85 AKR1B1 (0.55) AKR1B1TDP1BCAT2CXCL8KDM4E
Methyl Alcohol SCHEMBL28299530 0.83 AKR1B1 (0.70) AKR1B1TDP1BCAT2CXCL8KDM4E
SCHEMBL4086192 0.83 AKR1B1 (0.57) AKR1B1TDP1BCAT2CXCL8KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1303512-B1 PROCESS FOR PREPARING ARYLACETYLAMINOTHIAZOLES BRISTOL MYERS SQUIBB CO (US) 2005-07-20 EP claimed
JP-2004505079-A 2004-02-19 JP claimed
US-20030216440-A1 Process for preparing arylacetylaminothiazoles CHEN BANG-CHI (US) 2003-11-20 US claimed
US-6613911-B2 Reaction of haloarylacetic acids or esters with olefins to give vinylarylacetic acids or esters, oxidation with an oxidizing reagent gives formylarylacetic acids or esters BRISTOL-MYERS SQUIBB COMPANY 2003-09-02 US claimed
EP-1303512-A1 PROCESS FOR PREPARING ARYLACETYLAMINOTHIAZOLES Bristol-Myers Squibb Company (US) 2003-04-23 EP claimed
WO-2003011917-A1 METHOD OF CURING ELASTOMERS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2003-02-13 WO claimed
US-20020072609-A1 Process for preparing arylacetylaminothiazoles CHEN BANG-CHI (US) 2002-06-13 US claimed
WO-2002010161-A1 PROCESS FOR PREPARING ARYLACETYLAMINOTHIAZOLES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-02-07 WO claimed
EP-0906265-B1 CHEMICAL PROCESS SYNGENTA LTD (GB) 2001-08-29 EP claimed
US-20010004639-A1 Process for preparing arylacetylaminothiazoles BRISTOL-MYERS SQUIBB COMPANY 2001-06-21 US claimed
EP-4572795-A2 METHODS AND COMPOSITIONS FOR TREATING CANCER WITH CANCER-BINDING ADJUVANTS The University of Chicago (US) 2025-06-25 EP disclosed
CN-117946058-A Preparation method of 3-isochromone 上海试四化学品有限公司 2024-04-30 CN disclosed
WO-2024040169-A2 METHODS AND COMPOSITIONS FOR TREATING CANCER WITH CANCER-BINDING ADJUVANTS THE UNIVERSITY OF CHICAGO (US) 2024-02-22 WO disclosed
CN-115417849-B Method for catalytic synthesis of 3-isochromone 河南省化工研究所有限责任公司 2023-09-26 CN disclosed
CN-115894447-A METTL3 inhibitors and uses thereof 成都先导药物开发股份有限公司 2023-04-04 CN disclosed
US-4045438-A Cephalosporin antibiotics YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 1977-08-30 US disclosed
US-4031083-A Cephalosporin antibiotics YEDA RESEARCH AND DEVELOPMENT CO., LTD. (IL) 1977-06-21 US disclosed
US-4026887-A Cephalosporin antibiotics YEDA RESEARCH & DEVELOPMENT CO. LTD. (IL) 1977-05-31 US disclosed
US-3994875-A CEPHALOSPORINS, PENICILLINS YEDA RESEARCH & DEVELOPMENT CO. LTD. (IL) 1976-11-30 US disclosed
US-3948904-A ANTIBIOTICS YEDA RESEARCH & DEVELOPMENT CO. LTD. (IL) 1976-04-06 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 (3 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-20030216440-A1 Process for preparing arylacetylaminothiazoles CCNI, CCNT1, CCNA1 AKR1B1 684/4885TDP1 3065/4885BCAT2 125/4885
US-20020072609-A1 Process for preparing arylacetylaminothiazoles CCNT1, CCNI, CCNA1 AKR1B1 563/4885TDP1 3314/4885BCAT2 132/4885
US-20010004639-A1 Process for preparing arylacetylaminothiazoles CCNI, CCNA1, CCNT1 AKR1B1 719/4885TDP1 3170/4885BCAT2 117/4885

“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.