SCHEMBL472152

SCHEMBL472152

[CH2]CS(=O)(=O)c1cccc2c(N(C)C)cccc12

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.63
CYP1A2 P05177 1/20 0.60
CYP2C19 P33261 1/20 0.60
HTT P42858 1/20 0.60
HIF1A Q16665 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
EDNRA P25101 10/20 0.55
F2 P00734 3/20 0.54
PRSS1 P07477 3/20 0.54
PRSS2 P07478 3/20 0.54
PRSS3 P35030 3/20 0.54
KMT2A Q03164 1/20 0.54
ATM Q13315 1/20 0.54
KDM4E B2RXH2 1/20 0.48
NSD2 O96028 1/20 0.48
TSHR P16473 1/20 0.48
HSD17B10 Q99714 1/20 0.48

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
SCHEMBL13274117 0.88 CYP1A2 (0.71) CA2CYP1A2CYP2C19HTTHIF1A
SCHEMBL7022827 0.84 CA2 (0.59) CA2CYP1A2CYP2C19HTTHIF1A
SCHEMBL1896953 0.84 CA2 (0.64) CA2CYP1A2CYP2C19HTTHIF1A
SCHEMBL8906929 0.83 CA2 (0.63) CA2CYP1A2CYP2C19HTTHIF1A
SCHEMBL14539750 0.83 CA2 (0.63) CA2CYP1A2CYP2C19HTTHIF1A
SCHEMBL3806560 0.82 CYP1A2 (0.63) CA2CYP1A2CYP2C19HTTHIF1A
SCHEMBL1861706 0.81 CA2 (0.59) CA2CYP1A2CYP2C19HTTHIF1A
SCHEMBL7558145 0.81 CA2 (0.59) CA2CYP1A2CYP2C19HTTHIF1A
SCHEMBL5048492 0.80 EDNRA (0.62) CA2CYP1A2CYP2C19HTTHIF1A
SCHEMBL28956728 0.80 CA2 (0.58) CA2CYP1A2CYP2C19HTTHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3068405-B1 PYRROLO [1,2,F][1,2,4]TRIAZINES USEFUL FOR TREATING RESPIRATORY SYNCITIAL VIRUS INFECTIONS GILEAD SCIENCES INC (US) 2019-05-01 EP claimed
US-9493469-B2 Piperidine inhibitors of Janus kinase 3 AUSPEX PHARMACEUTICALS, INC. (US) 2016-11-15 US claimed
US-11999757-B2 Synthesis of boronate ester derivatives and uses thereof MELINTA SUBSIDIARY CORP. (US) 2024-06-04 US disclosed
CN-111556872-B Synthesis of borate derivatives and uses thereof 梅琳塔治疗公司 2024-05-10 CN disclosed
CN-117986153-A Ionizable cationic lipid compound, and preparation method and application thereof 晟迪生物医药(苏州)有限公司 2024-05-07 CN disclosed
CN-114085243-B Pyrrolo [1,2-f ] [1,2,4] triazines useful for the treatment of respiratory syncytial virus infection 吉利德科学公司 2024-04-26 CN disclosed
EP-4356736-A2 SYNTHESIS OF BORONATE SALTS Melinta Therapeutics, Inc. (US) 2024-04-24 EP disclosed
EP-3604316-B1 SYNTHESIS OF BORONATE SALTS MELINTA THERAPEUTICS INC (US) 2023-12-06 EP disclosed
EP-2956437-B1 ALBICIDIN DERIVATIVES FOR THE TREATMENT OF BACTERIAL INFECTIONS UNIV BERLIN TECH (DE) 2023-05-10 EP disclosed
EP-4122932-A1 PYRROLO[1,2-F][1,2,4]TRIAZINES USEFUL FOR TREATING RESPIRATORY SYNCITIAL VIRUS INFECTIONS Gilead Sciences, Inc. (US) 2023-01-25 EP disclosed
EP-3505173-B1 PYRROLO[1,2-F][1,2,4]TRIAZINES USEFUL FOR TREATING RESPIRATORY SYNCITIAL VIRUS INFECTIONS GILEAD SCIENCES INC (US) 2022-07-06 EP disclosed
WO-2005010075-A2 METHOD FOR PREPARING FUNCTIONALIZED POLYMERS FROM POLYMER ALCOHOLS NEKTAR THERAPEUTICS AL, CORPORATION (US) 2005-02-03 WO disclosed
WO-2005000233-A2 NOVEL THERAPEAUTIC AGENTS FOR THE TREATMENT OF CANCER, METABOLIC DISEASES AND SKIN DISORDERS AUSPEX PHARMACEUTICALS (US) 2005-01-06 WO disclosed
EP-1485707-A2 CAPTURE COMPOUNDS, COLLECTIONS THEREOF AND METHODS FOR ANALYZING THE PROTEOME AND COMPLEX COMPOSITIONS HK Pharmaceuticals, Inc. (US) 2004-12-15 EP disclosed
WO-2004064972-A9 CAPTURE COMPOUNDS, COLLECTIONS THEREOF AND METHODS FOR ANALYZING THE PROTEOME AND COMPLEX COMPOSITIONS HK PHARMACEUTICALS INC (US) 2004-09-16 WO disclosed
WO-2004064972-A2 CAPTURE COMPOUNDS, COLLECTIONS THEREOF AND METHODS FOR ANALYZING THE PROTEOME AND COMPLEX COMPOSITIONS HK PHARMACEUTICALS, INC. (US) 2004-08-05 WO disclosed
WO-2004064745-A2 METHOD OF PREPARATION OF HETEROCYCLIC MOLECULES WITH PHARMACEUTICAL PHARMACEUTICAL EXCIPIENT COSMECEUTICAL AGROCHEMICAL AND INDUSTRIAL USES AUSPEX PHARMACEUTICALS, INC. (US) 2004-08-05 WO disclosed
WO-2003092581-A9 CAPTURE COMPOUNDS, COLLECTIONS THEREOF AND METHODS FOR ANALYZING THE PROTEOME AND COMPLEX COMPOSITIONS HK PHARMACEUTICALS INC (US) 2004-02-19 WO disclosed
WO-2003092581-A2 CAPTURE COMPOUNDS, COLLECTIONS THEREOF AND METHODS FOR ANALYZING THE PROTEOME AND COMPLEX COMPOSITIONS HK PHARMACEUTICALS, INC. (US) 2003-11-13 WO disclosed
US-20030119021-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions CAPROTEC BIOANALYTICS GMBH (DE) 2003-06-26 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 (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-11999757-B2 Synthesis of boronate ester derivatives and uses thereof ADH5, ADH1A, ADH7 CA2 1540/4885CYP1A2 99/4885CYP2C19 200/4885

“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.