SCHEMBL5142677

SCHEMBL5142677

O=C(CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.72
MEN1 O00255 3/20 0.67
KMT2A Q03164 3/20 0.67
IDH2 P48735 4/20 0.66
ALDH1A1 P00352 3/20 0.65
HSD17B10 Q99714 2/20 0.65
LMNA P02545 1/20 0.65
KDM4E B2RXH2 3/20 0.64
MAPT P10636 2/20 0.64
HPGD P15428 2/20 0.64
MAPK1 P28482 2/20 0.64
USP2 O75604 1/20 0.64
CYP1A2 P05177 1/20 0.64
CYP2C9 P11712 1/20 0.64
PKM P14618 1/20 0.64
SMPD1 P17405 1/20 0.64
CYP2C19 P33261 1/20 0.64
HTT P42858 2/20 0.62
POLB P06746 1/20 0.62
TDP1 Q9NUW8 1/20 0.60

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
SCHEMBL4000681 0.84 EPHX2 (1.00) EPHX2MEN1KMT2AIDH2ALDH1A1
SCHEMBL5141426 0.83 EPHX2 (0.64) EPHX2MEN1KMT2AIDH2ALDH1A1
SCHEMBL5141425 0.83 EPHX2 (0.64) EPHX2MEN1KMT2AIDH2ALDH1A1
SCHEMBL31195240 0.82 ALDH1A1 (0.78) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL5142362 0.80 EPHX2 (0.57) EPHX2MEN1KMT2AIDH2ALDH1A1
SCHEMBL5142356 0.80 EPHX2 (0.57) EPHX2MEN1KMT2AIDH2ALDH1A1
SCHEMBL5142358 0.80 EPHX2 (0.57) EPHX2MEN1KMT2AIDH2ALDH1A1
SCHEMBL5208545 0.80 LMNA (0.63) EPHX2MEN1KMT2AALDH1A1LMNA
SCHEMBL15702396 0.79 IDH2 (1.00) EPHX2MEN1KMT2AIDH2ALDH1A1
SCHEMBL5142568 0.78 CA1 (0.81) MEN1KMT2AALDH1A1HSD17B10LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070043076-A1 Substituted 2-arylmethylene-n-aryl-n'aryl-malonamides and analogs as activators of caspases and inducers of apoptosis CYTOVIA, INC. 2007-02-22 US disclosed
WO-2005037196-A2 SUBSTITUTED 2-ARYLMETHYLENE-N-ARYL-N'-ARYL-MALONAMIDES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS CYTOVIA, INC. (US) 2005-04-28 WO 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 (1 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-20070043076-A1 Substituted 2-arylmethylene-n-aryl-n'aryl-malonamides and analogs as activators of caspases and inducers of apoptosis CASP14, CASP2, CASP3 EPHX2 3140/4885MEN1 2893/4885KMT2A 1674/4885

“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.