SCHEMBL508555

SCHEMBL508555

CC(C)(C)OC(=O)c1ccc(CBr)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA12 O43570 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
SIRT2 Q8IXJ6 1/20 0.42
SIRT1 Q96EB6 1/20 0.42
SLC7A5 Q01650 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
GABRA1 P14867 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
ELANE P08246 2/20 0.40

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
SCHEMBL1851002 0.95 CA12 (0.56) CA1CA2CA12CA9CA14
SCHEMBL2211024 0.86 CA1 (0.46) CA1CA2CA12CA9CA14
SCHEMBL2650277 0.85 CA12 (0.39) CA1CA2CA12CA9CA14
SCHEMBL7588248 0.85 ALDH1A1 (0.55) CA1CA2CA12CA9CA14
SCHEMBL7708759 0.85 KMT2A (0.52) CA1CA2CA12CA9CA14
SCHEMBL109451 0.84 CA1 (0.61) CA1CA2CA12CA9CA14
SCHEMBL7385067 0.83 CA1 (0.50) CA1CA2CA12CA9CA14
SCHEMBL1019092 0.83 CA1 (0.50) CA1CA2CA12CA9CA14
SCHEMBL16617577 0.83 CA1 (0.50) CA1CA2CA12CA9CA14
SCHEMBL8570437 0.83 CYP4A11 (0.49) CA1CA2CA12CA9CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115093397-B Compound for treating tumor, synthesis method and application 自贡市第三人民医院 2023-09-05 CN claimed
CN-115093397-A Compound for treating tumor, synthesis method and application 自贡市第三人民医院 2022-09-23 CN claimed
CN-113999188-A Cyperazine hapten and artificial antigen as well as preparation method and application thereof 中国农业大学 2022-02-01 CN claimed
CN-109535019-B 1,1a,6,6 a-tetrahydrocyclopropa [ a ] indene-1-amine derivative and preparation method and application thereof 华东师范大学 2021-08-20 CN claimed
US-12624008-B2 4-((6-oxopyrimidin-1(6H)-yl)methyl)benzoic acid as an inducer of Z A1AT secretion for treating AATD CENTESSA PHARMACEUTICALS (UK) LIMITED (GB) 2026-05-12 US disclosed
US-12600705-B2 Heat shock protein modulators and anti-Huntington disease therapeutic agents UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2026-04-14 US disclosed
US-20250340552-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF TREATING DISORDERS HOTSPOT THERAPEUTICS INC (US) 2025-11-06 US disclosed
US-20250275958-A1 GPCR REGULATOR AND USE THEREOF Beijing Changping Laboratory (CN) 2025-09-04 US disclosed
US-12378186-B2 Inhibitors of meprin α and β VIVORYON THERAPEUTICS N.V. (DE) 2025-08-05 US disclosed
EP-4562015-A2 CDK2 INHIBITORS AND METHODS OF USING THE SAME Cedilla Therapeutics, Inc. (US) 2025-06-04 EP disclosed
EP-4097119-B1 BILE ACID-GCPII INHIBITOR CONJUGATES TO TREAT INFLAMMATORY DISEASES UNIV JOHNS HOPKINS (US) 2025-05-07 EP disclosed
US-12291507-B2 Compounds and their use for the treatment of ALPHA1-antitrypsin deficiency CENTESSA PHARMACEUTICALS (UK) LIMITED (GB) 2025-05-06 US disclosed
US-5098996-A Fluorination of compounds for use in diagnosis of nuclear medicine THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1992-03-24 US disclosed
EP-0339549-A2 Tyr-peptide analogs F. HOFFMANN-LA ROCHE AG (CH) 1989-11-02 EP disclosed
US-4845088-A ANTIINFLAMMATORY, ANTIDEGENERATIVE AGENTS MERCK & CO., INC. (US) 1989-07-04 US disclosed
US-4843068-A INSECTICIDES, MITICIDES, FUNGICIDES NIHON NOHYAKU CO., LTD. (JP) 1989-06-27 US disclosed
US-4699904-A ANTIINFLAMMATORY AND ANTIDEGENERATIVE AGENTS MERCK & CO., INC. (US) 1987-10-13 US disclosed
US-4698338-A ANTIBIOTICS ELI LILLY AND COMPANY (US) 1987-10-06 US disclosed
EP-0234045-A2 A pyrazole oxime derivative and its production and use NIHON NOHYAKU CO., LTD. (JP) 1987-09-02 EP disclosed
EP-0207447-A2 Tetrazolyl derivatives of beta-lactams useful as elastase inhibitors MERCK & CO. INC. (US) 1987-01-07 EP 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-20250340552-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF TREATING DISORDERS CYP27A1, PNLIP, GOT2 CA1 1979/4885CA2 2447/4885CA12 532/4885
US-12291507-B2 Compounds and their use for the treatment of ALPHA1-antitrypsin deficiency SERPINA2, SERPINB1, SERPINH1 CA1 3092/4885CA2 3231/4885CA12 3334/4885
US-12624008-B2 4-((6-oxopyrimidin-1(6H)-yl)methyl)benzoic acid as an inducer of Z A1AT secretion for treating AATD SERPINA2, SERPINB1, SERPINE1 CA1 3384/4885CA2 3536/4885CA12 2715/4885
US-12600705-B2 Heat shock protein modulators and anti-Huntington disease therapeutic agents HEATR1, HSPH1, HEATR6 CA1 4173/4885CA2 4052/4885CA12 4705/4885
US-12378186-B2 Inhibitors of meprin α and β MEP1A, MEP1B, CAPRIN1 CA1 3203/4885CA2 2255/4885CA12 3818/4885
US-20250275958-A1 GPCR REGULATOR AND USE THEREOF ARRB1, GPR3, GPR4 CA1 4065/4885CA2 1539/4885CA12 4247/4885

“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.