SCHEMBL6021145

SCHEMBL6021145

N#CCCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.53
PDE4B Q07343 1/20 0.53
PDE4C Q08493 1/20 0.53
PDE4D Q08499 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
PARG Q86W56 1/20 0.50
FFAR4 Q5NUL3 2/20 0.48
MMP1 P03956 1/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MMP14 P50281 1/20 0.46
ADAM17 P78536 1/20 0.46
ALDH1A1 P00352 2/20 0.45
PKM P14618 1/20 0.45
KMT2A Q03164 1/20 0.43
CTDSP1 Q9GZU7 2/20 0.43
CCR1 P32246 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL6021112 0.82 ALDH1A1 (0.69) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL26212911 0.80 L3MBTL1 (0.56) L3MBTL1FFAR4MMP1MMP2MMP9
SCHEMBL3684870 0.80 CA12 (0.58) L3MBTL1FFAR4MMP1MMP2MMP9
SCHEMBL28225391 0.80 ALDH1A1 (0.64) PDE4APDE4BPDE4CPDE4DPARG
SCHEMBL20314697 0.78 ALDH1A1 (0.58) L3MBTL1FFAR4ALDH1A1PKMKMT2A
SCHEMBL6020167 0.76 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DL3MBTL1
SCHEMBL6020817 0.76 TSHR (0.57) PDE4APDE4BPDE4CPDE4DPARG
SCHEMBL6020322 0.76 ALDH1A1 (0.60) PDE4APDE4BPDE4CPDE4DL3MBTL1
SCHEMBL9780336 0.76 GAA (0.65) L3MBTL1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL6020396 0.76 SLC22A12 (0.52) PDE4APDE4BPDE4CPDE4DPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060252813-A1 Apparatus for curing a composite laminate JERINI AG (DE) 2006-11-09 US claimed
EP-1575903-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES Jerini AG (DE) 2005-09-21 EP claimed
WO-2004065353-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES JERINI AG (DE) 2004-08-05 WO claimed
WO-2004056755-A2 COMPOUNDS FOR THE INHIBITION OF NON-PROTEOLYTIC ENZYMES JERENI AG (DE) 2004-07-08 WO claimed
EP-1433778-A1 Use of nitriles as rotamase inhibitors Jerini AG (DE) 2004-06-30 EP claimed
EP-1433779-A1 Use of nitriles as inhibitors of non-proteolytic enzymes Jerini AG (DE) 2004-06-30 EP claimed
EP-1575903-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES Jerini AG (DE) 2005-09-21 EP disclosed
WO-2004065353-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES JERINI AG (DE) 2004-08-05 WO disclosed
WO-2004056755-A2 COMPOUNDS FOR THE INHIBITION OF NON-PROTEOLYTIC ENZYMES JERENI AG (DE) 2004-07-08 WO disclosed
EP-1433778-A1 Use of nitriles as rotamase inhibitors Jerini AG (DE) 2004-06-30 EP disclosed
EP-1433779-A1 Use of nitriles as inhibitors of non-proteolytic enzymes Jerini AG (DE) 2004-06-30 EP 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-20060252813-A1 Apparatus for curing a composite laminate DHX29, HDHD5, DHRS9 PDE4A 4480/4885PDE4B 3853/4885PDE4C 4374/4885

“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.