SCHEMBL4040654

SCHEMBL4040654

CCCC(NC(=O)c1ccc(-n2ccnc2)cc1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)C(=O)c1cccnc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.41
AHR P35869 1/20 0.39
KDM1A O60341 1/20 0.38
GFER P55789 1/20 0.36
HDAC1 Q13547 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CTSS P25774 4/20 0.36
CTSV O60911 3/20 0.36
CTSL P07711 3/20 0.36
CTSB P07858 3/20 0.36
ROCK2 O75116 1/20 0.35
CCR1 P32246 1/20 0.35
PREP P48147 1/20 0.35
FAP Q12884 1/20 0.35
DNMT3B Q9UBC3 1/20 0.35
UBE2N P61088 1/20 0.35
KMT2A Q03164 1/20 0.34
ADRB1 P08588 1/20 0.34
MAPT P10636 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL4044028 0.92 CTSK (0.50) CTSKAHRGFERHDAC1TDP1
SCHEMBL4044537 0.90 CTSK (0.41) CTSKAHRKDM1AGFERTDP1
SCHEMBL4043857 0.90 CTSK (0.44) CTSKCTSSCTSVCTSLCCR1
SCHEMBL4040030 0.89 CTSK (0.41) CTSKCTSSCTSVCTSLCCR1
SCHEMBL4048145 0.89 CTSK (0.47) CTSK
SCHEMBL4040234 0.89 CTSK (0.54) CTSKCTSSCTSVCTSLCCR1
SCHEMBL4041145 0.89 CTSK (0.45) CTSKCTSSCTSVCTSLCCR1
SCHEMBL4040494 0.88 CTSK (0.39) CTSKAHRKDM1AGFERTDP1
SCHEMBL4039424 0.88 CTSK (0.41) CTSKKDM1AGFERTDP1CTSS
SCHEMBL4039055 0.88 CTSK (0.54) CTSKCTSSCTSVCTSLCCR1

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1913038-B1 AMPHOLYTIC COPOLYMER, PRODUCTION THEREOF, AND USE OF THE SAME BASF SE (DE) 2013-03-27 EP claimed
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP claimed
EP-1912620-A1 USE OF ANIONICALLY AND CATIONICALLY AMPHOLYTIC COPOLYMERS BASF SE (DE) 2008-04-23 EP claimed
EP-1913039-A1 COPOLYMER CONTAINING SILICONE GROUPS, ITS PREPARATION AND USE BASF SE (DE) 2008-04-23 EP claimed
WO-2007012610-A1 COPOLYMER CONTAINING SILICONE GROUPS, ITS PREPARATION AND USE BASF AKTIENGESELLSCHAFT (DE) 2007-02-01 WO claimed
WO-2007010035-A1 USE OF ANIONICALLY AND CATIONICALLY AMPHOLYTIC COPOLYMERS BASF AKTIENGESELLSCHAFT (DE) 2007-01-25 WO claimed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 US claimed
EP-1546150-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP claimed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 WO claimed
WO-2009103735-A1 COMPOSITION CONTAINING AN AMPHOLYTIC COPOLYMER ON THE BASIS OF QUATERNISED MONOMERS CONTAINING NITROGEN AND AT LEAST ONE POLYMER THAT DIFFERS FROM SAID COPOLYMER, AND USE THEREOF BASF SE (DE) 2009-08-27 WO disclosed
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP disclosed
EP-1913038-A2 AMPHOLYTIC COPOLYMER, PRODUCTION THEREOF, AND USE OF THE SAME BASF SE (DE) 2008-04-23 EP disclosed
EP-1912620-A1 USE OF ANIONICALLY AND CATIONICALLY AMPHOLYTIC COPOLYMERS BASF SE (DE) 2008-04-23 EP disclosed
EP-1761234-A1 AQUEOUS PREPARATIONS COMPRISING A WATER-SOLUABLE OR WATER-DISPERSIBLE COPOLYMER WHICH CONTAINS AT LEAST ONE MONOMER HAVING A NITROGEN ATOM BASF AKTIENGESELLSCHAFT (DE) 2007-03-14 EP disclosed
WO-2007010034-A2 AMPHOLYTIC COPOLYMER, PRODUCTION THEREOF, AND USE OF THE SAME BASF AKTIENGESELLSCHAFT (DE) 2007-01-25 WO disclosed
WO-2007010035-A1 USE OF ANIONICALLY AND CATIONICALLY AMPHOLYTIC COPOLYMERS BASF AKTIENGESELLSCHAFT (DE) 2007-01-25 WO disclosed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 US disclosed
WO-2005123014-A1 AQUEOUS PREPARATIONS COMPRISING A WATER-SOLUBLE OR WATER-DISPERSIBLE COPOLYMER WHICH CONTAINS AT LEAST ONE MONOMER HAVING A NITROGEN ATOM BASF AKTIENGESELLSCHAFT (DE) 2005-12-29 WO disclosed
EP-1546150-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP disclosed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 WO 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-20060100431-A1 Biologically active compounds SOST, CTSK, CTSS CTSK 2/4885AHR 1859/4885KDM1A 3980/4885

“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.