SCHEMBL3102483

SCHEMBL3102483

O=C(CCl)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 4/20 0.66
PTPN1 P18031 2/20 0.66
CES2 O00748 1/20 0.59
CES1 P23141 1/20 0.59
MMP1 P03956 1/20 0.56
MMP2 P08253 1/20 0.54
MMP8 P22894 1/20 0.54
ALDH1A1 P00352 2/20 0.54
TRPA1 O75762 1/20 0.54
MAPK1 P28482 1/20 0.54
HIF1A Q16665 1/20 0.54
SRD5A2 P31213 2/20 0.52
HSD11B1 P28845 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
PDPK1 O15530 1/20 0.49
MAPT P10636 1/20 0.49

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
SCHEMBL29987081 0.83 PTPN1 (0.75) GSK3BPTPN1CES2CES1MMP1
SCHEMBL26135918 0.83 MMP1 (0.76) GSK3BPTPN1CES2CES1MMP1
SCHEMBL11480265 0.82 GSK3B (0.80) GSK3BPTPN1CES1ALDH1A1TRPA1
SCHEMBL5509133 0.81 HDAC1 (0.62) GSK3BPTPN1CES2CES1MMP1
SCHEMBL1360049 0.81 PTPN1 (0.68) GSK3BPTPN1CES2CES1MMP1
SCHEMBL2074662 0.81 PTPN1 (0.68) GSK3BPTPN1CES2CES1MMP1
SCHEMBL5508790 0.80 HDAC1 (0.65) GSK3BPTPN1CES2CES1MMP1
SCHEMBL203931 0.79 GSK3B (1.00) GSK3BPTPN1CES2CES1MMP1
SCHEMBL2095082 0.79 PTPN1 (0.66) GSK3BPTPN1CES2CES1MMP1
SCHEMBL478183 0.79 PTPN1 (0.66) GSK3BPTPN1CES2CES1MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0365914-B1 FLUORINE-CONTAINING ACETOPHENONES OPTIONALLY HALOGENATED IN THE CH3-GROUP, AND THEIR PREPARATION FROM FLUORINATED BENZONITRILES BAYER AG (DE) 1992-07-22 EP claimed
EP-3599854-B1 PYRROLIDINONES AND A PROCESS TO PREPARE THEM FMC CORP (US) 2026-05-06 EP disclosed
CN-115504920-B Pyrrolidone and preparation method thereof FMC公司 2024-10-11 CN disclosed
CN-114539040-B Method for synthesizing alpha-halogenated ketone compound by photocatalysis 苏州大学张家港工业技术研究院 2023-06-23 CN disclosed
US-11560367-B2 Pyrrolidinones and a process to prepare them FMC CORPORATION (US) 2023-01-24 US disclosed
CN-115504920-A Pyrrolidone and preparation method thereof FMC公司 2022-12-23 CN disclosed
CN-115368196-A Selective method for preparing alpha-halogenated aryl ketone by titanium silicalite molecular sieve catalysis 南京工业大学 2022-11-22 CN disclosed
CN-110691516-B Pyrrolidone and preparation method thereof FMC公司 2022-10-28 CN disclosed
CN-114539040-A Method for synthesizing alpha-haloketone compound by photocatalysis 苏州大学张家港工业技术研究院 2022-05-27 CN disclosed
US-20210107890-A1 PYRROLIDINONES AND A PROCESS TO PREPARE THEM FMC CORPORATION 2021-04-15 US disclosed
WO-1998032753-A1 THIAZOLE BENZENESULFONAMIDES AS β3 AGONISTS FOR THE TREATMENT OF DIABETES AND OBESITY MERCK & CO., INC. (US) 1998-07-30 WO disclosed
EP-0780380-A1 Triazole derivatives with antimycotic action and intermediates SS PHARMACEUTICAL CO., LTD. (JP) 1997-06-25 EP disclosed
EP-0365913-B1 Substituted 2-aminothiazoles BAYER AG (DE) 1993-11-18 EP disclosed
US-5142092-A Chemical intermediate for making fungicides BAYER AKTIENGESELLSCHAFT (DE) 1992-08-25 US disclosed
EP-0365914-B1 FLUORINE-CONTAINING ACETOPHENONES OPTIONALLY HALOGENATED IN THE CH3-GROUP, AND THEIR PREPARATION FROM FLUORINATED BENZONITRILES BAYER AG (DE) 1992-07-22 EP disclosed
US-5104879-A ANTIMYCOTICALLY ACTIVE SUBSTITUTED 2-AMINOTHIAZOLES BAYER AKTIENGESELLSCHAFT (DE) 1992-04-14 US disclosed
EP-0365914-A2 Fluorine-containing acetophenones optionally halogenated in the CH3-group, and their preparation from fluorinated benzonitriles BAYER AG (DE) 1990-05-02 EP disclosed
EP-0365913-A2 Substituted 2-aminothiazoles BAYER AG (DE) 1990-05-02 EP disclosed
US-4631280-A Pyridazine derivatives having a psychotropic action, and medicaments in which they are present SANOFI (FR) 1986-12-23 US disclosed
US-4565814-A Pyridazine derivatives having a psychotropic action and compositions SANOFI (FR) 1986-01-21 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 (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-20210107890-A1 PYRROLIDINONES AND A PROCESS TO PREPARE THEM CCNB1, CCNA2, F2 GSK3B 3310/4885PTPN1 3874/4885CES2 2709/4885
US-11560367-B2 Pyrrolidinones and a process to prepare them CCNB1, CCNA2, F2 GSK3B 3310/4885PTPN1 3874/4885CES2 2709/4885

“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.