SCHEMBL8160348

SCHEMBL8160348

O=C(O)CC(=O)c1ccc(F)c(F)c1F

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.57
CES1 P23141 3/20 0.57
ERCC5 P28715 2/20 0.42
FEN1 P39748 2/20 0.42
PTPN1 P18031 1/20 0.42
ALDH1A1 P00352 2/20 0.39
MAP2K1 Q02750 3/20 0.36
MAP2K2 P36507 2/20 0.36
BCHE P06276 1/20 0.36
CXCL8 P10145 1/20 0.35
HTT P42858 1/20 0.35
KAT6A Q92794 1/20 0.34
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
EPHX2 P34913 1/20 0.33
GRIK1 P39086 1/20 0.33
FABP4 P15090 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33

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
SCHEMBL8165593 0.83 ERCC5 (0.40) CES2CES1ERCC5FEN1PTPN1
SCHEMBL10539615 0.83 SMN1; SMN2 (0.40) CES2CES1ERCC5FEN1PTPN1
SCHEMBL8945742 0.82 CES2 (0.55) CES2CES1ERCC5FEN1PTPN1
SCHEMBL6623875 0.81 CES2 (0.53) CES2CES1ALDH1A1KDM4EKMT2A
SCHEMBL8927304 0.80 PTPN1 (0.37) CES2CES1ERCC5FEN1PTPN1
SCHEMBL30194898 0.80 PTPN1 (0.38) CES2CES1ERCC5FEN1PTPN1
SCHEMBL1187294 0.80 PTPN1 (0.38) CES2CES1ERCC5FEN1PTPN1
SCHEMBL2373430 0.78 CES2 (0.59) CES2CES1ALDH1A1BCHEKDM4E
SCHEMBL9612851 0.78 CES2 (0.59) CES2CES1ALDH1A1BCHEHTT
SCHEMBL241797 0.76 CES2 (0.70) CES2CES1ALDH1A1MAP2K1MAP2K2

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2822945-B1 AMINOMETHYLENE PYRAZOLONES WITH THERAPEUTIC ACTIVITY COMPOUND HANDLING B V (NL) 2019-06-19 EP disclosed
US-10071987-B2 Aminomethylene pyrazolones with therapeutic activity COMPOUND HANDLING B.V. (NL) 2018-09-11 US disclosed
US-20180030035-A1 AMINOMETHYLENE PYRAZOLONES WITH THERAPEUTIC ACTIVITY COMPOUND HANDLING B.V. (NL) 2018-02-01 US disclosed
US-9790205-B2 Aminomethylene pyrazolones with therapeutic activity COMPOUND HANDLING B.V. (NL) 2017-10-17 US disclosed
US-20170240531-A1 AMINOMETHYLENE PYRAZOLONES WITH THERAPEUTIC ACTIVITY COMPOUND HANDLING B.V. (NL) 2017-08-24 US disclosed
US-9676764-B2 Aminomethylene pyrazolones with therapeutic activity COMPOUND HANDLING B.V. (NL) 2017-06-13 US disclosed
US-20160326152-A1 AMINOMETHYLENE PYRAZOLONES WITH THERAPEUTIC ACTIVITY COMPOUND HANDLING B.V. (NL) 2016-11-10 US disclosed
US-9453012-B2 Aminomethylene pyrazolones with therapeutic activity COMPOUND HANDLING B.V. (NL) 2016-09-27 US disclosed
US-20150073019-A1 AMINOMETHYLENE PYRAZOLONES WITH THERAPEUTIC ACTIVITY SPECS COMPOUND HANDLING B.V. (NL) 2015-03-12 US disclosed
EP-2822945-A1 AMINOMETHYLENE PYRAZOLONES WITH THERAPEUTIC ACTIVITY Compound Handling B.V. (NL) 2015-01-14 EP disclosed
WO-2013131931-A1 AMINOMETHYLENE PYRAZOLONES WITH THERAPEUTIC ACTIVITY COMPOUND HANDLING B.V. (NL) 2013-09-12 WO disclosed
US-6114590-A Process for the preparation of polyhalogenated benzotrifluorides, benzotrichlorides and benzoyl chlorides and new trihalogenobenzotrichlorides and -benzoyl chlorides BAYER AKTIENGESELLSCHAFT (DE) 2000-09-05 US disclosed
US-6075165-A Process for the preparation of polyhalogenated benzotrifluorides, benzotrichlorides and benzoyl chlorides and new trihalogenobenzotrichlorides and -benzoyl chlorides BAYER AKTIENGESELLSCHAFT (DE) 2000-06-13 US disclosed
US-5599980-A Process for the preparation of polyhalogenated benzotrifluorides, benzotrichlorides and benzoyl chlorides and new trihalogenobenzotrichlorides and -benzoyl chlorides BAYER AKTIENGESELLSCHAFT (DE) 1997-02-04 US disclosed
US-5457104-A Antibacterials BAYER AKTIENGESELLSCHAFT (DE) 1995-10-10 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 (5 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-20180030035-A1 AMINOMETHYLENE PYRAZOLONES WITH THERAPEUTIC ACTIVITY H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NCOA3, CBR3 CES2 647/4885CES1 648/4885ERCC5 1913/4885
US-10071987-B2 Aminomethylene pyrazolones with therapeutic activity H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NCOA3, CBR3 CES2 647/4885CES1 648/4885ERCC5 1913/4885
US-20170240531-A1 AMINOMETHYLENE PYRAZOLONES WITH THERAPEUTIC ACTIVITY H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NCOA3, CBR3 CES2 689/4885CES1 714/4885ERCC5 1924/4885
US-20160326152-A1 AMINOMETHYLENE PYRAZOLONES WITH THERAPEUTIC ACTIVITY H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NCOA3, CBR3 CES2 689/4885CES1 714/4885ERCC5 1924/4885
US-20150073019-A1 AMINOMETHYLENE PYRAZOLONES WITH THERAPEUTIC ACTIVITY H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NCOA3, CBR3 CES2 689/4885CES1 714/4885ERCC5 1924/4885

“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.