SCHEMBL6021080

SCHEMBL6021080

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.41
FPR2 P25090 8/20 0.41
KIF11 P52732 1/20 0.39
MCHR1 Q99705 1/20 0.39
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MAPT P10636 1/20 0.35
ATM Q13315 1/20 0.35
GAA P10253 1/20 0.35
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
TACR2 P21452 1/20 0.35
EPHX2 P34913 1/20 0.35
NR1H4 Q96RI1 1/20 0.35

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
SCHEMBL6020247 0.90 FPR2 (0.46) TRPV1FPR2KIF11MCHR1ALDH1A1
SCHEMBL6021372 0.88 FPR2 (0.41) TRPV1FPR2KIF11MCHR1ALDH1A1
SCHEMBL6019544 0.87 FPR2 (0.52) FPR2MCHR1SMN1; SMN2RAB9AMAPT
SCHEMBL6019653 0.86 FPR2 (0.50) FPR2MAPTATMCTSLCTSB
SCHEMBL6020387 0.85 CHRM3 (0.46) FPR2CTSLCTSSCTSKTACR2
SCHEMBL6020139 0.84 FPR2 (0.50) TRPV1FPR2MCHR1ALDH1A1SMN1; SMN2
SCHEMBL6020191 0.84 SAE1 (0.45) FPR2ALDH1A1SMN1; SMN2RAB9AMAPT
SCHEMBL6019819 0.83 CASR (0.45) FPR2ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL6442135 0.82 FPR2 (0.58) FPR2MAPTCTSLCTSSCTSK
SCHEMBL6019710 0.82 CTSS (0.49) FPR2CTSLCTSBCTSSCTSK

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 TRPV1 3778/4885FPR2 3247/4885KIF11 1461/4885

“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.