SCHEMBL6020918

SCHEMBL6020918

COc1ccc(NC(=S)NC(CSC)C(=O)NCC#N)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.46
MAPT P10636 3/20 0.45
GAA P10253 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 3/20 0.45
MAOB P27338 1/20 0.44
ALDH1A1 P00352 4/20 0.44
CAPN1 P07384 1/20 0.44
ANPEP P15144 1/20 0.44
FPR2 P25090 1/20 0.43
MAPK1 P28482 1/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
HPGD P15428 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL6021004 0.90 ALDH1A1 (0.44) MAPTGAACYP1A2CYP2C19MAOB
SCHEMBL6448627 0.88 CA1 (0.40) RAB9AMAPTGAAKMT2AALDH1A1
SCHEMBL6449677 0.88 FPR2 (0.52) RAB9AMAOBFPR2CTSLCTSB
SCHEMBL6020681 0.87 LMNA (0.50) MAPTKMT2AALDH1A1FPR2HPGD
SCHEMBL6019419 0.87 GAA (0.49) GAAKMT2ACTSLCTSBCTSS
SCHEMBL12521545 0.87 CAPN1 (0.58) CAPN1ANPEPCTSLCTSBCTSS
SCHEMBL6019922 0.85 CTSL (0.60) RAB9AMAPTKMT2AMAOBFPR2
SCHEMBL6020864 0.85 PTGS2 (0.47) RAB9AMAPTGAACYP1A2CYP2C19
SCHEMBL6020012 0.83 CTSS (0.57) FPR2CTSLCTSBCTSSCTSK
SCHEMBL6021268 0.83 ALDH1A1 (0.48) MAPTGAAKMT2AMAOBALDH1A1

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 RAB9A 841/4885MAPT 4235/4885GAA 3708/4885

“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.