SCHEMBL6758967

SCHEMBL6758967

CCCN(Br)C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 3/20 0.43
CA12 O43570 3/20 0.43
CA1 P00915 2/20 0.43
CA7 P43166 1/20 0.43
HDAC6 Q9UBN7 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
CA2 P00918 2/20 0.32
SSTR4 P31391 1/20 0.31
CA9 Q16790 1/20 0.31
HDAC3 O15379 1/20 0.31
NCOR2 Q9Y618 1/20 0.31
DGAT1 O75907 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
ASGR1 P07306 1/20 0.30

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
SCHEMBL5029147 0.88 CA12 (0.38) CA14CA12CA1CA7HDAC6
SCHEMBL5026616 0.86 CA14 (0.40) CA14CA12CA1CA7HDAC6
SCHEMBL25699642 0.83 SSTR4 (0.40) CA14CA12CA1CA7HDAC6
SCHEMBL5721018 0.83 HDAC6 (0.38) CA14CA12CA1CA7HDAC6
SCHEMBL19491344 0.80 CA14 (0.38) CA14CA12CA1CA7HDAC6
SCHEMBL2608081 0.78 CA14 (0.49) CA14CA12CA1CA7HDAC6
SCHEMBL7905771 0.77 CA14 (0.44) CA14CA12CA1CA7HDAC6
SCHEMBL9901110 0.77 CA14 (0.44) CA14CA12CA1CA7HDAC6
SCHEMBL1352475 0.75 HDAC6 (0.36) CA14HDAC6HDAC1HDAC2HDAC3
SCHEMBL20077109 0.75 CA14 (0.43) CA14CA12CA1CA7HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117624250-A Platinum (IV) prodrug with novel NF- κB inhibitor as ligand and preparation method and application thereof 淮阴工学院 2024-03-01 CN claimed
WO-2024199098-A1 XANTHINE DERIVATIVE AND PREPARATION METHOD THEREFOR AND USE THEREOF 麦科奥特(苏州)科技有限公司 2024-10-03 WO disclosed
WO-2024199096-A1 ANTICOAGULATION REVERSAL AGENT, AND PREPARATION METHOD THEREFOR AND USE THEREOF 陕西麦科奥特科技有限公司 2024-10-03 WO disclosed
CN-118684671-A Xanthine derivative and preparation method and application thereof 麦科奥特(苏州)科技有限公司 2024-09-24 CN disclosed
CN-118684672-A Anticoagulation reversal agent and preparation method and application thereof 陕西麦科奥特科技有限公司 2024-09-24 CN disclosed
CN-117624250-A Platinum (IV) prodrug with novel NF- κB inhibitor as ligand and preparation method and application thereof 淮阴工学院 2024-03-01 CN disclosed
EP-3884939-B1 3-PHOSPHOGLYCERATE DEHYDROGENASE INHIBITORS AND USES THEREOF RAZE THERAPEUTICS INC (US) 2023-10-25 EP disclosed
CN-115746034-A Three-function organic catalyst, preparation method and application thereof 浙江大学 2023-03-07 CN disclosed
EP-3884939-A1 3-PHOSPHOGLYCERATE DEHYDROGENASE INHIBITORS AND USES THEREOF Raze Therapeutics, Inc. (US) 2021-09-29 EP disclosed
WO-2020033322-A1 HEARING LOSS-PROTECTIVE COMPOUNDS AND METHODS THEREOF FRED HUTCHINSON CANCER RESEARCH CENTER (US) 2020-02-13 WO disclosed
EP-1293214-A2 LTB4 antagonists and radiopharmaceuticals for imaging infection and inflammation Bristol-Myers Squibb Pharma Company (US) 2003-03-19 EP disclosed
US-20030007927-A1 Radiopharmaceuticals for imaging infection and inflammation BARRETT JOHN A (US) 2003-01-09 US disclosed
US-20030003049-A1 Simultaneous dual isotope imaging of cardiac perfusion and cardiac inflammation LANTHEUS MEDICAL IMAGING, INC. 2003-01-02 US disclosed
EP-1250324-A1 BIARYL COMPOUNDS, THEIR PREPARATION AND THEIR USE IN THERAPY RiboTargets Limited (GB) 2002-10-23 EP disclosed
US-6416733-B1 RADIOPHARMACEUTICALS BIND IN VIVO TO THE LEUKOTRIENE B4 (LTB4) RECEPTOR ON THE SURFACE OF LEUKOCYTES WHICH ACCUMULATE AT THE SITE OF INFECTION AND INFLAMMATION BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-07-09 US disclosed
WO-2002036173-A2 SIMULTANEOUS DUAL ISOTOPE IMAGING OF CARDIAC PERFUSION AND CARDIAC INFLAMMATION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-05-10 WO disclosed
WO-2001055111-A1 BIARYL COMPOUNDS, THEIR PREPARATION AND THEIR USE IN THERAPY RIBOTARGETS LIMITED (GB) 2001-08-02 WO disclosed
EP-0999856-A2 RADIOPHARMACEUTICALS FOR IMAGING INFECTION AND INFLAMMATION Du Pont Pharmaceuticals Company (US) 2000-05-17 EP disclosed
WO-1998015295-A2 RADIOPHARMACEUTICALS FOR IMAGING INFECTION AND INFLAMMATION DUPONT PHARMACEUTICALS COMPANY (US) 1998-04-16 WO disclosed
WO-1997046525-A1 5-ALKOXY-TRYPTAMINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS 5-HT1D RECEPTOR AGONISTS ALLELIX BIOPHARMACEUTICALS INC. (CA) 1997-12-11 WO 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-20030007927-A1 Radiopharmaceuticals for imaging infection and inflammation LTB4R, LTB4R2, LTA4H CA14 3683/4885CA12 3946/4885CA1 4752/4885
US-20030003049-A1 Simultaneous dual isotope imaging of cardiac perfusion and cardiac inflammation LTB4R, LTB4R2, FABP3 CA14 2484/4885CA12 2670/4885CA1 3359/4885

“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.