SCHEMBL4042617

SCHEMBL4042617

CCCC(NC(=O)c1ccc(C(F)(F)F)cc1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1ccc[n+]([O-])c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.46
TRPV4 Q9HBA0 3/20 0.38
CACNA1B Q00975 2/20 0.38
KDM1A O60341 1/20 0.36
CCR1 P32246 2/20 0.36
CTSS P25774 3/20 0.35
CTSV O60911 2/20 0.35
CTSL P07711 2/20 0.35
P2RY12 Q9H244 1/20 0.35
BRD4 O60885 1/20 0.34
BRD2 P25440 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 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
SCHEMBL4038812 0.93 CTSK (0.54) CTSKTRPV4CCR1CTSSCTSV
SCHEMBL4045969 0.92 CTSK (0.56) CTSKTRPV4CACNA1BCCR1CTSS
SCHEMBL4045150 0.92 CTSK (0.44) CTSKCCR1CTSSCTSVCTSL
SCHEMBL6274440 0.92 CTSK (0.48) CTSKKDM1ACCR1CTSSCTSV
SCHEMBL4045239 0.91 CTSK (0.42) CTSKCCR1CTSSCTSVCTSL
SCHEMBL4039713 0.90 CTSK (0.45) CTSKCCR1CTSSCTSVCTSL
SCHEMBL4040752 0.90 CTSK (0.54) CTSKCCR1CTSSCTSVCTSL
SCHEMBL4044103 0.90 CTSK (0.42) CTSKKDM1ACCR1CTSSCTSV
SCHEMBL4043807 0.89 CTSK (0.41) CTSKCCR1CTSSCTSVCTSL
SCHEMBL4043368 0.89 CTSK (0.42) CTSKCCR1CTSSCTSVCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (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 2/4885TRPV4 1406/4885CACNA1B 3684/4885

“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.