SCHEMBL4041799

SCHEMBL4041799

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

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.45
HSD17B10 Q99714 1/20 0.39
ELOVL6 Q9H5J4 1/20 0.37
CTSL P07711 1/20 0.37
CTSS P25774 1/20 0.37
TRPV4 Q9HBA0 2/20 0.36
MAPT P10636 1/20 0.36
KDM1A O60341 1/20 0.36
CACNA1B Q00975 1/20 0.36
HIF1A Q16665 5/20 0.35
EPAS1 Q99814 5/20 0.35
CCR1 P32246 1/20 0.35
CYP3A4 P08684 1/20 0.35
HSD11B1 P28845 1/20 0.35
PREP P48147 1/20 0.35
FAP Q12884 1/20 0.35

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
SCHEMBL4040210 0.93 CTSK (0.53) CTSKHSD17B10CTSLCTSSMAPT
SCHEMBL4042773 0.92 CTSK (0.55) CTSKHSD17B10ELOVL6CTSLCTSS
SCHEMBL4045971 0.92 CTSK (0.43) CTSKHSD17B10CTSLCTSSMAPT
SCHEMBL4037665 0.92 LMNA (0.44) CTSKHSD17B10ELOVL6CTSLCTSS
SCHEMBL4044361 0.90 CTSK (0.44) CTSKHSD17B10ELOVL6CTSLCTSS
SCHEMBL4041112 0.90 CTSK (0.46) CTSKCTSLCTSSKDM1AHIF1A
SCHEMBL4042400 0.90 LMNA (0.43) CTSKHSD17B10ELOVL6MAPT
SCHEMBL4041298 0.90 CTSK (0.54) CTSKHSD17B10CTSLCTSSMAPT
SCHEMBL4038224 0.89 CTSK (0.44) CTSKHIF1AEPAS1
SCHEMBL4043930 0.89 CTSK (0.41) CTSKHSD17B10ELOVL6CTSLCTSS

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
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-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 1338/4885HSD17B10 3513/4885ELOVL6 4521/4885
US-20060100431-A1 Biologically active compounds SOST, CTSK, CTSS CTSK 2/4885HSD17B10 1043/4885ELOVL6 4117/4885

“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.