SCHEMBL6019544

SCHEMBL6019544

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

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 6/20 0.52
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
EPHX2 P34913 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
TACR2 P21452 1/20 0.42
MTOR P42345 2/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
MCHR1 Q99705 1/20 0.41
CNR1 P21554 1/20 0.41
NAMPT P43490 1/20 0.40
DHODH Q02127 1/20 0.40
UTS2R Q9UKP6 1/20 0.40
USP30 Q70CQ3 1/20 0.40

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
SCHEMBL6020227 0.90 FPR2 (0.54) FPR2MEN1KMT2AEPHX2SMN1; SMN2
SCHEMBL6021080 0.87 TRPV1 (0.41) FPR2EPHX2SMN1; SMN2TACR2MAPT
SCHEMBL6020139 0.86 FPR2 (0.50) FPR2EPHX2SMN1; SMN2MAPTRAB9A
SCHEMBL6020280 0.86 FPR2 (0.54) FPR2MEN1KMT2AEPHX2TACR2
SCHEMBL6020191 0.85 SAE1 (0.45) FPR2MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL6019819 0.84 CASR (0.45) FPR2SMN1; SMN2HTTRAB9ACNR1
SCHEMBL6020102 0.84 FPR2 (0.67) FPR2TACR2MAPT
SCHEMBL6020381 0.83 FPR2 (0.54) FPR2TACR2MTOR
SCHEMBL6020414 0.82 FPR1 (0.47) FPR2MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL6021018 0.81 TACR2 (0.49) FPR2SMN1; SMN2TACR2

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.