SCHEMBL187641

SCHEMBL187641

[O]c1ccccc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.47
GAA P10253 2/20 0.43
LMNA P02545 1/20 0.43
ALDH1A1 P00352 3/20 0.43
POLB P06746 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ACP3 P15309 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
IDO1 P14902 2/20 0.40
TSHR P16473 1/20 0.39
MAOB P27338 3/20 0.39
GALR1 P47211 1/20 0.38
P4HB P07237 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
HSD11B1 P28845 1/20 0.38
KIF11 P52732 1/20 0.38
HPGD P15428 1/20 0.37
TNF P01375 1/20 0.37

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
SCHEMBL2096273 0.79 NFKB1 (0.35) NFKB1GAALMNAALDH1A1POLB
SCHEMBL8630737 0.79 NFKB1 (0.35) NFKB1GAALMNAALDH1A1POLB
SCHEMBL14932033 0.79 HSD11B1 (0.41) NFKB1GAALMNAALDH1A1POLB
SCHEMBL63469 0.78 ALDH1A1 (0.52) NFKB1GAALMNAALDH1A1POLB
SCHEMBL29441997 0.78 ALDH1A1 (0.52) NFKB1GAALMNAALDH1A1POLB
SCHEMBL2051652 0.77 MPL (0.43) GAALMNAALDH1A1POLBTDP1
Hydrogen Sulfide SCHEMBL28274662 0.76 ALDH1A1 (0.50) NFKB1GAALMNAALDH1A1POLB
SCHEMBL10368048 0.75 RXRA (0.41) GAALMNAIDO1
SCHEMBL2799903 0.75 P2RX7 (0.53) MEN1KMT2A
SCHEMBL2185812 0.75 NFKB1 (0.33) NFKB1GAALMNAACP3TNF

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 1172 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11987588-B2 Modulators of the beta-3 adrenergic receptor useful for the treatment or prevention of heart failure and disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2024-05-21 US claimed
CN-116478400-A Polyimide and diamine monomer containing tetrabiphenyl derivative structure and preparation method thereof 中山大学 2023-07-25 CN claimed
EP-3720858-B1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF HEART FAILURE AND DISORDERS RELATED THERETO ARENA PHARM INC (US) 2023-06-07 EP claimed
CN-115960355-A Method for preparing sulfur-containing polymer based on isomerization-driven irreversible ring-opening polymerization 中国科学院上海有机化学研究所 2023-04-14 CN claimed
US-20220396579-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF HEART FAILURE AND DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2022-12-15 US claimed
EP-3867333-B1 DISUBSTITUTED DIARYLOXYBENZOHETERODIAZOLE COMPOUNDS ENI SPA (IT) 2022-09-14 EP claimed
EP-4028400-A1 SUBSTITUTED IMIDAZOQUINOXALINE COMPOUNDS AND USES THEREOF Impact Therapeutics (Shanghai), Inc (CN) 2022-07-20 EP claimed
CN-114583278-A Low-temperature electrolyte of lithium ion battery and lithium ion battery 傲普(上海)新能源有限公司 2022-06-03 CN claimed
CN-113166138-A Disubstituted diaryloxybenzoheterodiazole compounds 艾尼股份公司 2021-07-23 CN claimed
CN-112574177-A Pyrimidine derivatives and application thereof in preparing antitumor drugs 陕西师范大学 2021-03-30 CN claimed
EP-0421747-A2 (Fluorinated phenoxy) (3-perfluoro-alkylphenoxy)-cyclic phosphazenes and process for preparing the same THE DOW CHEMICAL COMPANY (US) 1991-04-10 EP claimed
EP-0190037-B1 PROCESS FOR PREPARING AN AZIRIDINE DERIVATIVE SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1988-11-30 EP claimed
US-4705794-A Ischaemia or hypoxia controlling compositions containing pyridinecarboxylic acid esters BAYER AKTIENGESELLSCHAFT (DE) 1987-11-10 US claimed
US-4659720-A POULTRY ANTIPROTOZOA AGENT MERCK & CO., INC. (US) 1987-04-21 US claimed
EP-0113570-B1 5-(AMINO OR SUBSTITUTED AMINO) IMIDAZOLES MERCK & CO. INC. (US) 1987-02-25 EP claimed
US-4622330-A Antiprotozoal 3-amino or substituted amino pyrazoles MERCK & CO., INC. (US) 1986-11-11 US claimed
EP-0113570-A1 5-(Amino or substituted amino) imidazoles MERCK & CO. INC. (US) 1984-07-18 EP claimed
EP-0103445-A2 Process for production of prostaglandins E or F, and novel 7-(thiocarbo-acyloxy) prostaglandins E or F TEIJIN LIMITED (JP) 1984-03-21 EP claimed
EP-0040021-A1 Amides and sulfonamides of prostaglandine-type compounds and compositions containing them THE UPJOHN COMPANY (US) 1981-11-18 EP claimed
US-3931155-A ANTICOAGULANT RICHARDSON-MERRELL INC. (US) 1976-01-06 US claimed

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-11987588-B2 Modulators of the beta-3 adrenergic receptor useful for the treatment or prevention of heart failure and disorders related thereto ADRB3, ADRB1, ADRB2 NFKB1 1224/4885GAA 1959/4885LMNA 1377/4885
US-20220396579-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF HEART FAILURE AND DISORDERS RELATED THERETO ADRB3, ADRB1, ADRB2 NFKB1 1318/4885GAA 1863/4885LMNA 1281/4885

“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.