SCHEMBL55550

SCHEMBL55550

CNC(=O)C1CCCCC1CS(=O)(=O)c1ccc(N=Nc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.50
POLB P06746 2/20 0.40
CYP2D6 P10635 1/20 0.40
RAB9A P51151 6/20 0.37
NPC1 O15118 4/20 0.37
MAPT P10636 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
NFKB1 P19838 1/20 0.37
MAPK1 P28482 1/20 0.37
NFKB2 Q00653 1/20 0.37
KMT2A Q03164 1/20 0.37
RELA Q04206 1/20 0.37
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
ADAM17 P78536 5/20 0.35
MMP3 P08254 2/20 0.35
TBXA2R P21731 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
SCHEMBL61244 0.90 CTSK (0.48) CTSKPOLBCYP2D6ADAM17MMP13
SCHEMBL4613136 0.74 CTSK (0.76) CTSKCTSLCTSB
SCHEMBL4613133 0.74 CTSK (0.76) CTSKCTSLCTSB
SCHEMBL4613139 0.74 CTSK (0.76) CTSKCTSLCTSB
SCHEMBL56831 0.74 MMP1 (0.51) CTSKADAM17MMP3MMP13MMP2
SCHEMBL8281067 0.72 CTSK (0.54) CTSKPOLBSMN1; SMN2MEN1ALDH1A1
SCHEMBL4615303 0.70 CTSK (0.68) CTSKCTSLCTSB
SCHEMBL4615304 0.70 CTSK (0.68) CTSKCTSLCTSB
SCHEMBL4615306 0.70 CTSK (0.68) CTSKCTSLCTSB
SCHEMBL4613892 0.70 CTSK (0.70) CTSKCTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129406-B2 Nonpeptide inhibitors of matrix metalloproteinases SOUTHERN RESEARCH INSTITUTE (US) 2012-03-06 US disclosed
US-20080312329-A1 Nonpeptide Inhibitors of Matrix Metalloproteinases SOUTHERN RESEARCH INSTITUTE (US) 2008-12-18 US 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-20080312329-A1 Nonpeptide Inhibitors of Matrix Metalloproteinases MMP1, MMP3, MMP10 CTSK 338/4885POLB 1070/4885CYP2D6 1883/4885

“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.