SCHEMBL449754

SCHEMBL449754

COC(=O)CC(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.57
CES2 O00748 1/20 0.57
ALDH1A1 P00352 1/20 0.55
POLB P06746 1/20 0.55
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
TAS1R3 Q7RTX0 1/20 0.51
TAS1R1 Q7RTX1 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
P2RX1 P51575 1/20 0.50
LMNA P02545 1/20 0.50
ACHE P22303 1/20 0.50
HDAC3 O15379 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50
TP53BP1 Q12888 1/20 0.49
CTNNB1 P35222 1/20 0.49
WNT3A P56704 1/20 0.49
GAA P10253 1/20 0.49
HTT P42858 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
SCHEMBL4420680 0.88 CTNNB1 (0.56) NPSR1CES2ALDH1A1POLBMEN1
SCHEMBL30758861 0.87 CES2 (0.69) NPSR1CES2ALDH1A1POLBMEN1
SCHEMBL1423257 0.87 ALDH1A1 (0.55) NPSR1CES2ALDH1A1POLBMEN1
SCHEMBL10960536 0.85 NPSR1 (0.55) NPSR1CES2ALDH1A1POLBMEN1
SCHEMBL9536997 0.84 CES2 (0.61) NPSR1CES2ALDH1A1POLBMEN1
SCHEMBL25308923 0.84 NPSR1 (0.54) NPSR1CES2ALDH1A1POLBMEN1
SCHEMBL17291046 0.83 CES2 (0.52) NPSR1CES2ALDH1A1MEN1KMT2A
SCHEMBL5369280 0.83 CES2 (0.59) NPSR1CES2ALDH1A1POLBMEN1
SCHEMBL11088114 0.82 MAPK14 (0.54) GAARAB9A
SCHEMBL1421024 0.82 CES2 (0.62) NPSR1CES2ALDH1A1POLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6410757-B1 TAXANE COMPOUNDS BIO RESEARCH CORPORATION OF YOKOHAMA (JP) 2002-06-25 US claimed
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
US-20050250771-A1 Substituted indoles and their use as integrin antagonists 3-DIMENSIONAL PHARMACEUTICALS, INC. 2005-11-10 US disclosed
US-20050209225-A1 Substituted indoles and their use as integrin antagonists 3-DIMENSIONAL PHARMACEUTICALS, INC. 2005-09-22 US disclosed
US-6855722-B2 Substituted indoles and their use as integrin antagonists DIMENSIONAL PHARMACEUTICALS, INC. (US) 2005-02-15 US disclosed
EP-1425010-A1 SUBSTITUTED INDOLES AND THEIR USE AS INTEGRIN ANTAGONISTS Ortho-McNeil Pharmaceutical, Inc. (US) 2004-06-09 EP disclosed
EP-1029857-B1 Baccatin derivatives and a process for producing the same BIO RES CORP OF YOKOHAMA (JP) 2003-07-16 EP disclosed
US-20020169200-A1 Substituted indoles and their use as integrin antagonists 3-DIMENSIONAL PHARMACEUTICALS, INC. 2002-11-14 US disclosed
WO-2002060438-A1 SUBSTITUTED INDOLES AND THEIR USE AS INTEGRIN ANTAGONISTS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2002-08-08 WO disclosed
US-6410757-B1 TAXANE COMPOUNDS BIO RESEARCH CORPORATION OF YOKOHAMA (JP) 2002-06-25 US disclosed
EP-1029857-A1 Baccatin derivatives and a process for producing the same Bio Research Corporation of Yokohama (JP) 2000-08-23 EP disclosed
US-4829076-A CARDIOVASCULAR DISORDERS ALKALOIDA VEGYESZETI GYAR (HU) 1989-05-09 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 (8 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 NPSR1 2175/4885CES2 647/4885ALDH1A1 2108/4885
US-10071987-B2 Aminomethylene pyrazolones with therapeutic activity H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NCOA3, CBR3 NPSR1 2175/4885CES2 647/4885ALDH1A1 2108/4885
US-20050209225-A1 Substituted indoles and their use as integrin antagonists ITGAV, ITGA5, ITGB5 NPSR1 218/4885CES2 4883/4885ALDH1A1 1690/4885
US-20020169200-A1 Substituted indoles and their use as integrin antagonists ITGAV, ITGAL, ITGA5 NPSR1 286/4885CES2 4881/4885ALDH1A1 1662/4885
US-20170240531-A1 AMINOMETHYLENE PYRAZOLONES WITH THERAPEUTIC ACTIVITY H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NCOA3, CBR3 NPSR1 2133/4885CES2 689/4885ALDH1A1 2119/4885
US-20050250771-A1 Substituted indoles and their use as integrin antagonists ITGAV, ITGA5, ITGB5 NPSR1 249/4885CES2 4881/4885ALDH1A1 1656/4885
US-20160326152-A1 AMINOMETHYLENE PYRAZOLONES WITH THERAPEUTIC ACTIVITY H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NCOA3, CBR3 NPSR1 2133/4885CES2 689/4885ALDH1A1 2119/4885
US-20150073019-A1 AMINOMETHYLENE PYRAZOLONES WITH THERAPEUTIC ACTIVITY H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NCOA3, CBR3 NPSR1 2133/4885CES2 689/4885ALDH1A1 2119/4885

“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.