SCHEMBL6020341

SCHEMBL6020341

N#CCCNC(=O)N(S)Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.50
GAA P10253 1/20 0.44
ALDH1A1 P00352 5/20 0.43
CTSL P07711 2/20 0.43
CTSS P25774 2/20 0.43
MCL1 Q07820 1/20 0.42
GUSB P08236 2/20 0.40
SIGMAR1 Q99720 2/20 0.40
TMEM97 Q5BJF2 1/20 0.40
PTGES O14684 1/20 0.40
USP2 O75604 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
LIMK1 P53667 1/20 0.39
LIMK2 P53671 1/20 0.39
AR P10275 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 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
SCHEMBL7603538 0.78 POLB (0.44) POLBALDH1A1CTSLCTSSMCL1
SCHEMBL7096077 0.78 GAA (0.49) GAAALDH1A1MCL1NPSR1RAB9A
SCHEMBL2850380 0.73 HPGD (0.60) POLBGAAALDH1A1CTSLCTSS
SCHEMBL11568815 0.73 NPC1 (0.50) POLBALDH1A1NPSR1NPC1RAB9A
SCHEMBL28643707 0.71 NPC1 (0.50) ALDH1A1NPSR1NPC1RAB9A
SCHEMBL7859213 0.71 HPGD (0.59) GAARAB9A
SCHEMBL6020765 0.71 CTSC (0.59) CTSS
SCHEMBL2391033 0.70 LMNA (0.65) CTSLCTSSGUSB
SCHEMBL11270488 0.70 USP2 (0.55) POLBALDH1A1USP2HSD17B10NPSR1
SCHEMBL3455667 0.69 GAA (0.57) POLBGAACTSLGUSBNPC1

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 11 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
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 POLB 3034/4885GAA 3708/4885ALDH1A1 662/4885

“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.