SCHEMBL6020532

SCHEMBL6020532

CCN(C#N)C(=O)C(CS(C)(=O)=O)NC(=S)Nc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.47
LMNA P02545 2/20 0.46
MAPT P10636 3/20 0.44
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.41
EPHX2 P34913 2/20 0.39
PLA2G1B P04054 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
MCHR1 Q99705 1/20 0.38
FPR2 P25090 1/20 0.38
HPGD P15428 1/20 0.37
PKM P14618 1/20 0.37
DHODH Q02127 1/20 0.37
TP53 P04637 1/20 0.37
KCNH2 Q12809 1/20 0.37

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
SCHEMBL6021318 0.91 FPR2 (0.48) MAPTALDH1A1EPHX2MCHR1FPR2
SCHEMBL6021538 0.89 PTGS2 (0.44) LMNAMAPTALDH1A1KDM4EHPGD
SCHEMBL6020861 0.87 L3MBTL1 (0.49) L3MBTL1LMNAMAPTALDH1A1KDM4E
SCHEMBL6019949 0.86 CA1 (0.35) ALDH1A1KDM4ESMN1; SMN2
SCHEMBL6020472 0.84 FPR2 (0.55) L3MBTL1LMNAMAPTALDH1A1PLA2G1B
SCHEMBL6019306 0.84 GAA (0.44) L3MBTL1LMNAMAPTALDH1A1KDM4E
SCHEMBL6019418 0.84 L3MBTL1 (0.46) L3MBTL1LMNAMAPTALDH1A1KDM4E
SCHEMBL6020952 0.82 LMNA (0.48) L3MBTL1LMNAMAPTALDH1A1KDM4E
SCHEMBL6021732 0.81 ALDH1A1 (0.45) L3MBTL1LMNAMAPTALDH1A1KDM4E
SCHEMBL6021521 0.81 HDAC1 (0.38) L3MBTL1ALDH1A1KDM4EPKMTP53

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 10 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
US-20060252813-A1 Apparatus for curing a composite laminate JERINI AG (DE) 2006-11-09 US 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 L3MBTL1 1177/4885LMNA 549/4885MAPT 4235/4885

“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.