SCHEMBL4040503

SCHEMBL4040503

CCCC(NC(=O)c1ccc(Oc2ccccc2)cc1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1cccnc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.44
GPR132 Q9UNW8 3/20 0.38
MAPT P10636 1/20 0.38
CCR1 P32246 2/20 0.38
MMP13 P45452 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PREP P48147 1/20 0.37
FAP Q12884 1/20 0.37
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
ADAM17 P78536 1/20 0.37
ELOVL6 Q9H5J4 1/20 0.37
ACE P12821 2/20 0.37
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
RECQL P46063 1/20 0.36
RAB9A P51151 1/20 0.36
CTSL P07711 2/20 0.36
CTSS P25774 2/20 0.36
CTSV O60911 1/20 0.36

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
SCHEMBL4042400 0.93 LMNA (0.43) CTSKMAPTMMP13HSD17B10MMP1
SCHEMBL4037128 0.92 CTSK (0.54) CTSKMAPTCCR1MMP13HSD17B10
SCHEMBL4043930 0.91 CTSK (0.41) CTSKGPR132MAPTCCR1HSD17B10
SCHEMBL4043735 0.91 CTSS (0.44) CTSKGPR132MAPTMMP13HSD17B10
SCHEMBL4045971 0.90 CTSK (0.43) CTSKMAPTCCR1HSD17B10PREP
SCHEMBL4045200 0.90 CTSK (0.45) CTSKGPR132CCR1MMP13PREP
SCHEMBL4037665 0.90 LMNA (0.44) CTSKGPR132MAPTHSD17B10ELOVL6
SCHEMBL4039411 0.90 CTSK (0.43) CTSKGPR132CCR1MMP13PREP
SCHEMBL4040210 0.89 CTSK (0.53) CTSKMAPTCCR1HSD17B10PREP
SCHEMBL4044361 0.89 CTSK (0.44) CTSKCCR1HSD17B10PREPFAP

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
EP-1506175-B1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDGF RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2009-04-01 EP claimed
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP 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
US-20040082639-A1 N-substituted tricyclic 3-aminopyrazoles as inhibitors for the treatment of cell proliferative disorders JANSSEN PHARMACEUTICA, N.V. (BE) 2004-04-29 US claimed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 WO claimed
EP-1506175-B1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDGF RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2009-04-01 EP disclosed
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP disclosed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 US 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 (2 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-20040082639-A1 N-substituted tricyclic 3-aminopyrazoles as inhibitors for the treatment of cell proliferative disorders PDGFRA, PDGFRB, PDGFA CTSK 1338/4885GPR132 1432/4885MAPT 3829/4885
US-20060100431-A1 Biologically active compounds SOST, CTSK, CTSS CTSK 2/4885GPR132 844/4885MAPT 3367/4885

“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.