SCHEMBL6020118

SCHEMBL6020118

CSCC(NS(=O)(=O)c1ccc(OC(F)(F)F)cc1)C(=O)NCCC#N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.40
HDAC4 P56524 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC7 Q8WUI4 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC10 Q969S8 2/20 0.40
HDAC11 Q96DB2 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
HDAC9 Q9UKV0 2/20 0.40
HDAC5 Q9UQL6 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
USP30 Q70CQ3 1/20 0.39
ALDH1A1 P00352 1/20 0.38
PSMB8 P28062 4/20 0.38
HSD17B10 Q99714 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
MMP9 P14780 3/20 0.38
MMP7 P09237 2/20 0.38
MMP10 P09238 1/20 0.38

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
SCHEMBL6020807 0.91 HDAC3 (0.42) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6021525 0.88 L3MBTL1 (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6020951 0.88 HSD17B10 (0.50) ALDH1A1PSMB8HSD17B10MMP9MMP2
SCHEMBL6019335 0.84 F2 (0.52) ALDH1A1MMP9MMP2
SCHEMBL6019139 0.84 ALDH1A1 (0.48) L3MBTL1ALDH1A1PSMB8MMP9MMP7
SCHEMBL6021003 0.83 L3MBTL1 (0.45) L3MBTL1USP30MMP9MMP2MMP1
SCHEMBL6019655 0.83 PSMB8 (0.46) ALDH1A1PSMB8MMP2PSMB5
SCHEMBL6021548 0.83 CTSL (0.45) ALDH1A1PSMB8HSD17B10MMP9MMP2
SCHEMBL6020139 0.81 FPR2 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6019575 0.81 CTSS (0.47) USP30MMP9MMP1ADAM17

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 12 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
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 HDAC3 1732/4885HDAC4 1652/4885HDAC1 1091/4885

“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.