SCHEMBL6020280

SCHEMBL6020280

CS(=O)(=O)CC(NC(=O)Nc1ccc(C(F)(F)F)cc1)C(=O)NCCC#N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 6/20 0.54
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
EPHX2 P34913 2/20 0.42
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
MAPT P10636 2/20 0.40
TACR2 P21452 1/20 0.40
CA4 P22748 1/20 0.39
CA7 P43166 1/20 0.39
MCHR1 Q99705 1/20 0.39
MTOR P42345 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
CNR1 P21554 1/20 0.39
CTSB P07858 2/20 0.39
CTSS P25774 2/20 0.39
CTSL P07711 1/20 0.39

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
SCHEMBL6020915 0.91 FPR2 (0.57) FPR2MEN1KMT2AEPHX2CA12
SCHEMBL6021372 0.87 FPR2 (0.41) FPR2MAPTTACR2MCHR1RAB9A
SCHEMBL6021319 0.87 FPR2 (0.48) FPR2EPHX2MCHR1RAB9ACTSS
SCHEMBL6019640 0.86 CA12 (0.43) FPR2MEN1KMT2ACA12CA1
SCHEMBL6019544 0.86 FPR2 (0.52) FPR2MEN1KMT2AEPHX2MAPT
SCHEMBL6021520 0.85 CTSB (0.44) FPR2CA12CA1CA2CA9
SCHEMBL6023465 0.83 FPR1 (0.45) FPR2MEN1KMT2ACA12CA1
SCHEMBL6023449 0.82 TACR2 (0.47) CA12CA1CA2CA9TACR2
SCHEMBL6020102 0.82 FPR2 (0.67) FPR2MAPTTACR2CTSSCTSL
SCHEMBL6020381 0.81 FPR2 (0.54) FPR2TACR2MTORCTSSCTSL

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 FPR2 3247/4885MEN1 4215/4885KMT2A 1324/4885

“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.