SCHEMBL4625879

SCHEMBL4625879

O=c1[nH]cc(CF)c(=O)[nH]1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52
CYP19A1 P11511 1/20 0.52
TSHR P16473 1/20 0.52
THPO P40225 1/20 0.52
MTOR P42345 1/20 0.52
HTT P42858 1/20 0.52
HBB P68871 1/20 0.52
PMP22 Q01453 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
DPYD Q12882 1/20 0.46
GAA P10253 1/20 0.46
ATAD2 Q6PL18 1/20 0.46

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
SCHEMBL4353311 0.81 DPYD (0.50) ALDH1A1LMNAMAPTCYP19A1TSHR
SCHEMBL5800398 0.81
SCHEMBL161148 0.79 ATAD2 (0.54) ALDH1A1LMNAMAPTCYP19A1TSHR
SCHEMBL2037916 0.77 DPYD (0.46) ALDH1A1LMNAMAPTCYP19A1TSHR
SCHEMBL1916592 0.77 DPYD (0.46) ALDH1A1LMNAMAPTCYP19A1TSHR
SCHEMBL5798297 0.77 DPYD (0.46) ALDH1A1LMNAMAPTCYP19A1TSHR
SCHEMBL44459 0.77 GAA (0.52) ALDH1A1LMNAMAPTCYP19A1TSHR
SCHEMBL2584919 0.77 LMNA (0.52) ALDH1A1LMNAMAPTCYP19A1TSHR
SCHEMBL6555485 0.77 DPYD (0.52) ALDH1A1LMNAMAPTCYP19A1TSHR
SCHEMBL190858 0.77 ALDH1A1 (0.47) ALDH1A1LMNAMAPTCYP19A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118931997-A Method for synthesizing adenosine and/or uridine by three-enzyme cascade catalysis 上海飞腾医药科技有限公司 2024-11-12 CN claimed
EP-0898575-B1 A COMBINATORIAL PROTECTING GROUP STRATEGY FOR MULTIFUNCTIONAL MOLECULES KOESTER HUBERT DR (US) 2004-12-29 EP claimed
US-20030194741-A1 COMBINATORIAL PROTECTING GROUP STRATEGY FOR MULTIFUNCTIONAL MOLECULES CAPROTEC BIOANALYTICS GMBH (DE) 2003-10-16 US claimed
EP-0898575-A2 A COMBINATORIAL PROTECTING GROUP STRATEGY FOR MULTIFUNCTIONAL MOLECULES KÖSTER, Hubert (US) 1999-03-03 EP claimed
WO-1997041139-A2 A COMBINATORIAL PROTECTING GROUP STRATEGY FOR MULTIFUNCTIONAL MOLECULES KOESTER HUBERT (US) 1997-11-06 WO claimed
CN-119775260-A Pyrimidine-2, 4 (1H, 3H) -dione compounds, preparation method, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2025-04-08 CN disclosed
CN-118931997-A Method for synthesizing adenosine and/or uridine by three-enzyme cascade catalysis 上海飞腾医药科技有限公司 2024-11-12 CN disclosed
CN-118165044-A Stereoselective synthesis method and application of alpha-2' -deoxynucleoside 中国药科大学 2024-06-11 CN disclosed
CN-115023268-A Vaccination against antigens induced in cells infected by pathogens 迈阿密大学 2022-09-06 CN disclosed
US-9636404-B2 Pharmaceutical composition comprising modified hemoglobin-based therapeutic agent for cancer targeting treatment and diagnostic imaging VISION GLOBAL HOLDINGS LTD. (CN) 2017-05-02 US disclosed
US-20150204836-A1 SOLUBLE METAL SENSOR COMPOUNDS AND METHODS FOR MAKING AND USING THE SAME UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2015-07-23 US disclosed
WO-2014036361-A2 SOLUBLE METAL SENSOR COMPOUNDS AND METHODS FOR MAKING AND USING THE SAME UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2014-03-06 WO disclosed
US-5446137-A Substituent selected from linking group containing modifiers such as biotin, reactive groups, nucleic acids, catalysts, DNA intercalators, minor groove binders, clevage agents, and detectable labels SYNTEX (U.S.A.) INC. (US) 1995-08-29 US disclosed
US-5192749-A Viricide, AIDS SYNTEX (U.S.A.) INC. (US) 1993-03-09 US disclosed
EP-0457326-A1 Antiviral agents SYNTEX (U.S.A.) INC. (US) 1991-11-21 EP disclosed
US-4762823-A VIRICIDES, ANTICARCINOGENIC AGENTS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1988-08-09 US disclosed
US-4762823-A VIRICIDES, ANTICARCINOGENIC AGENTS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1988-08-09 US disclosed
EP-0222192-A3 NUCLEOSIDES OF 5-MONOFLUOROMETHYLURACIL AND 5-DIFLUOROMETHYLURACIL Sloan-Kettering Institute For Cancer Research (US) 1988-06-01 EP disclosed
EP-0222192-A2 Nucleosides of 5-monofluoromethyluracil and 5-difluoromethyluracil Sloan-Kettering Institute For Cancer Research (US) 1987-05-20 EP disclosed
EP-0222192-A2 Nucleosides of 5-monofluoromethyluracil and 5-difluoromethyluracil Sloan-Kettering Institute For Cancer Research (US) 1987-05-20 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 (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-20030194741-A1 COMBINATORIAL PROTECTING GROUP STRATEGY FOR MULTIFUNCTIONAL MOLECULES ADAR, RNMT, ATIC ALDH1A1 4111/4885LMNA 2407/4885MAPT 2388/4885
US-20150204836-A1 SOLUBLE METAL SENSOR COMPOUNDS AND METHODS FOR MAKING AND USING THE SAME SOD1, CNBP, CACYBP ALDH1A1 1164/4885LMNA 3303/4885MAPT 3641/4885

“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.