SCHEMBL6019181

SCHEMBL6019181

CCCCOC(=O)NC(CSC)C(=O)N(C#N)CC

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.35
CTSS P25774 3/20 0.34
CTSL P07711 2/20 0.34
ACHE P22303 7/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
CTSK P43235 2/20 0.33
NPC1 O15118 2/20 0.33
HPGD P15428 2/20 0.33
RAB9A P51151 2/20 0.33
MAPK1 P28482 2/20 0.33
CTSB P07858 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
MCL1 Q07820 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL6021379 0.95 EPHX1 (0.42) EPHX1ACHE
SCHEMBL6021573 0.87 NPC1 (0.36) EPHX1CTSSCTSLACHESMN1; SMN2
SCHEMBL6019807 0.87 MEN1 (0.35) CTSSCTSLCTSKCTSBALDH1A1
SCHEMBL6020294 0.84 CTSS (0.34) CTSSCTSLCTSKCTSB
SCHEMBL6021166 0.84 CTSL (0.32) CTSSCTSLSMN1; SMN2CTSKCTSB
SCHEMBL6020453 0.84 CTSS (0.34) CTSSCTSLCTSKCTSB
SCHEMBL6021408 0.83 SMN1; SMN2 (0.39) CTSSCTSLSMN1; SMN2CTSKMAPK1
SCHEMBL6021000 0.82 SMN1; SMN2 (0.33) EPHX1CTSSCTSLACHESMN1; SMN2
SCHEMBL6021060 0.82 EPHX1 (0.42) EPHX1ACHE
SCHEMBL6019408 0.79 KDM4E (0.33) CTSSSMN1; SMN2CTSKKDM4EALDH1A1

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 10 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
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 EPHX1 22/4885CTSS 2720/4885CTSL 2274/4885

“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.