SCHEMBL788600

SCHEMBL788600

FC(F)(F)c1cccc(Br)c1.O=S(=O)(Cl)Cl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.61
CA2 P00918 2/20 0.61
CA5A P35218 1/20 0.61
CA9 Q16790 1/20 0.61
MMP1 P03956 1/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
MMP13 P45452 1/20 0.46
CDK1 P06493 2/20 0.45
CCNB1 P14635 2/20 0.45
CCNA2 P20248 2/20 0.45
CDK2 P24941 2/20 0.45
CDK7 P50613 2/20 0.45
CCNH P51946 2/20 0.45
CCNA1 P78396 2/20 0.45
CCND1 P24385 1/20 0.45
CDK6 Q00534 1/20 0.45
CES2 O00748 1/20 0.44
MAPK1 P28482 2/20 0.44

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
SCHEMBL4661 0.88 CA1 (0.57) CA1CA2CA5ACA9CES2
SCHEMBL29824423 0.88 CA1 (0.57) CA1CA2CA5ACA9CES2
SCHEMBL1504972 0.86 CA1 (0.55) CA1CA2CA5ACA9CES2
SCHEMBL1907531 0.86 CA1 (0.53) CA1CA2MMP1MMP2MMP9
SCHEMBL1504913 0.86 CA1 (0.55) CA1CA2CA5ACA9CES2
Hydrazine SCHEMBL28339222 0.82 CA1 (0.56) CA1CA2CA5ACA9CES2
Bicarbonate SCHEMBL28555116 0.81 CES2 (0.53) CA1CA2CA5ACA9CES2
SCHEMBL27365264 0.79 ALDH1A1 (0.46) CA1CA2CA5ACA9MMP2
SCHEMBL1139725 0.78 PTPN1 (0.47) CA1CA2CA5ACA9MMP1
SCHEMBL2033058 0.78 MEN1 (0.50) CA1CA2MMP1MMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240124466-A1 COMPOUNDS AND USE THEREOF FOR TREATMENT OF NEURODEGENERATIVE, DEGENERATIVE AND METABOLIC DISORDERS THE SCRIPPS RESEARCH INSTITUTE 2024-04-18 US disclosed
EP-4259118-A1 COMPOUNDS AND USE THEREOF FOR TREATMENT OF NEURODEGENERATIVE, DEGENERATIVE AND METABOLIC DISORDERS The Scripps Research Institute (US) 2023-10-18 EP disclosed
WO-2022125989-A1 COMPOUNDS AND USE THEREOF FOR TREATMENT OF NEURODEGENERATIVE, DEGENERATIVE AND METABOLIC DISORDERS SCRIPPS RESEARCH INSTITUTE, THE (US) 2022-06-16 WO disclosed
CN-109311839-A Methylamine derivative is used for treating cancer as lysyl oxidase inhibitor 癌症研究协会皇家癌症医院 2019-02-05 CN disclosed
CN-104168958-B Diaryl sulfonamides useful for the treatment of inflammation and cancer 坎塞拉有限公司 2017-12-01 CN disclosed
CN-107148417-A Benzo-aza * sulfonamide compounds 豪夫迈·罗氏有限公司 2017-09-08 CN disclosed
CN-104678028-B The pre-treatment of biological original amine neurotransmitters and detection method and detection kit 中国人民解放军军事医学科学院毒物药物研究所 2017-08-15 CN disclosed
US-9233946-B2 Sulfonamide compounds KANCERA AB (SE) 2016-01-12 US disclosed
EP-2440521-B1 NOVEL CYCLOPENTANE DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-04-30 EP disclosed
CN-102036961-B Pyridine and pyrazine compounds as PI3K inhibitors NOVARTIS AG 2014-02-26 CN disclosed
CN-1980897-A 4-phenyl-pyrimidine-2-carbonitrile derivatives ORGANON NV (NL) 2007-06-13 CN disclosed
EP-1786811-A2 TRIAZOLOPYRIDINE COMPOUNDS Pharmacia & Upjohn Company LLC (US) 2007-05-23 EP disclosed
EP-1781655-A2 TRIAZOLOPYRIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATION Pharmacia & Upjohn Company LLC (US) 2007-05-09 EP disclosed
EP-1758870-A1 4-PHENYL-PYRIMIDINE-2-CARBONITRILE DERIVATIVES N.V. Organon (NL) 2007-03-07 EP disclosed
WO-2006018735-A2 TRIAZOLOPYRIDINE COMPOUNDS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-02-23 WO disclosed
WO-2006018727-A2 TRIAZOLOPYRIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATION PHARMACIA & UPJOHN COMPANY LLC (US) 2006-02-23 WO disclosed
WO-2005121106-A1 4-PHENYL-PYRIMIDINE-2-CARBONITRILE DERIVATIVES N.V. ORGANON (NL) 2005-12-22 WO disclosed
CN-1037568-C Phosphosulfonate herbicides ROHM & HAAS (US) 1998-03-04 CN disclosed
CN-1165143-A Phosphosulfonate herbicides ROHM & HAAS (US) 1997-11-19 CN disclosed
CN-1165144-A Phosphosulfonate herbicides ROHM & HAAS (US) 1997-11-19 CN 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 (1 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-20240124466-A1 COMPOUNDS AND USE THEREOF FOR TREATMENT OF NEURODEGENERATIVE, DEGENERATIVE AND METABOLIC DISORDERS SNCA, NLN, HTT CA1 1546/4885CA2 3216/4885CA5A 1093/4885

“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.