SCHEMBL6158692

SCHEMBL6158692

CCCCC(NOCc1ccccc1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
MMP2 P08253 1/20 0.59
CA9 Q16790 1/20 0.59
CTSL P07711 1/20 0.51
CTSS P25774 1/20 0.51
CNR2 P34972 2/20 0.48
SIRT2 Q8IXJ6 1/20 0.47
SIRT1 Q96EB6 1/20 0.47
MME P08473 3/20 0.47
ECE1 P42892 1/20 0.47
PTGES O14684 1/20 0.45
ALOX5 P09917 1/20 0.45
ACE P12821 1/20 0.45
CPA1 P15085 1/20 0.45
ACE2 Q9BYF1 1/20 0.45
CETP P11597 3/20 0.44
CTSK P43235 3/20 0.44
ALDH1A1 P00352 1/20 0.43
CYP3A4 P08684 1/20 0.43

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
SCHEMBL6158695 1.00 CA1 (0.59) CA1CA2MMP2CA9CTSL
SCHEMBL3982664 0.85 NPC1 (0.46) CA1CA2MMP2CA9ECE1
SCHEMBL7226853 0.84 MMP2 (0.50) MMP2ECE1
SCHEMBL7226850 0.84 MMP2 (0.50) MMP2ECE1
SCHEMBL8702185 0.83 MME (0.52) CTSLCNR2MMEACECPA1
Methane SCHEMBL28261132 0.83 MMP2 (0.49) MMP2ECE1
SCHEMBL9556097 0.83 LTA4H (0.46) CA1CA2MMP2CA9CTSL
SCHEMBL28937048 0.83 LTA4H (0.46) CA1CA2MMP2CA9CTSL
SCHEMBL6343393 0.82 FOLH1 (0.60) MMEECE1
SCHEMBL10610612 0.82 FOLH1 (0.60) MMEECE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1504094-A2 PEPTIDE COMPOUNDS AND THEIR USE AS PROTEASE SUBSTRATES Pharmacia Corporation (US) 2005-02-09 EP claimed
US-20040018561-A1 Peptide compounds and their use as protease substrates PHARMACIA CORPORATION 2004-01-29 US claimed
WO-2003095475-A2 PEPTIDE COMPOUNDS AND THEIR USE AS PROTEASE SUBSTRATES PHARMACIA CORPORATION (US) 2003-11-20 WO claimed
EP-1504094-A2 PEPTIDE COMPOUNDS AND THEIR USE AS PROTEASE SUBSTRATES Pharmacia Corporation (US) 2005-02-09 EP disclosed
US-20040018561-A1 Peptide compounds and their use as protease substrates PHARMACIA CORPORATION 2004-01-29 US disclosed
WO-2003095475-A2 PEPTIDE COMPOUNDS AND THEIR USE AS PROTEASE SUBSTRATES PHARMACIA CORPORATION (US) 2003-11-20 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-20040018561-A1 Peptide compounds and their use as protease substrates MMP3, MMP25, MMP11 CA1 190/4885CA2 343/4885MMP2 26/4885

“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.