SCHEMBL6434583

SCHEMBL6434583

COC(=O)C1(S(=O)(=O)N2CCC(O)(c3ccc(-c4cccc(OC(C)(C)C)c4)c(C)c3)CC2)CCOCC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 1/20 0.38
MMP2 P08253 11/20 0.37
MMP3 P08254 9/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
PKM P14618 1/20 0.36
CYP2C19 P33261 1/20 0.36
MMP9 P14780 2/20 0.35
MMP14 P50281 2/20 0.35
MMP1 P03956 1/20 0.35
MMP13 P45452 2/20 0.34
EPHX1 P07099 1/20 0.34
LMNA P02545 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALOX5 P09917 1/20 0.32
ALDH1A1 P00352 1/20 0.32
NR1H4 Q96RI1 1/20 0.32
SCN9A Q15858 1/20 0.31

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
SCHEMBL6439486 0.85 MMP2 (0.52) PRKDCMMP2MMP3CYP3A4CYP2C9
SCHEMBL6439864 0.79 CYP3A4 (0.45) MMP2CYP3A4CYP2C9PKMCYP2C19
SCHEMBL6586377 0.76 MMP2 (0.51) MMP2MMP3CYP3A4CYP2C9PKM
SCHEMBL6584779 0.74 MMP2 (0.65) MMP2MMP3CYP3A4CYP2C9PKM
SCHEMBL6435026 0.73 MMP2 (0.51) MMP2MMP3CYP3A4CYP2C9PKM
SCHEMBL6435028 0.73 MMP2 (0.50) MMP2MMP3CYP3A4CYP2C9PKM
SCHEMBL6433636 0.73 MMP2 (0.55) MMP2MMP3MMP9MMP14MMP1
SCHEMBL6437469 0.72 MMP2 (0.63) MMP2MMP3CYP3A4CYP2C9PKM
SCHEMBL6433435 0.72 MMP2 (0.52) MMP2MMP3CYP3A4CYP2C9PKM
SCHEMBL6434246 0.72 MMP2 (0.51) MMP2MMP3MMP9MMP14MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050026836-A1 Composition for the treatment of damaged tissue DACK KEVIN NEIL (GB) 2005-02-03 US disclosed
US-20030199440-A1 Composition for the treatment of damaged tissue PFIZER INC. 2003-10-23 US disclosed
EP-1181017-B1 METALLOPROTEASE INHIBITORS PFIZER LTD (GB) 2003-04-16 EP disclosed
US-6511993-B1 Substituted alpha-aminosulphonyl-acetohydroxamic acids which are inhibitors of zinc-dependent metalloprotease enzymes PFIZER INC. 2003-01-28 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 (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-20030199440-A1 Composition for the treatment of damaged tissue MMP1, SERPINE1, COL14A1 PRKDC 2271/4885MMP2 19/4885MMP3 28/4885
US-20050026836-A1 Composition for the treatment of damaged tissue MMP1, SERPINE1, COL14A1 PRKDC 2271/4885MMP2 19/4885MMP3 28/4885

“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.