SCHEMBL6439864

SCHEMBL6439864

COC(=O)C1(S(=O)(=O)N2CCC(O)(c3ccc(Br)c(C)c3)CC2)CCOCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
PKM P14618 1/20 0.45
CYP2C19 P33261 1/20 0.45
ABL1 P00519 1/20 0.39
RIN1 Q13671 1/20 0.39
LMNA P02545 3/20 0.38
MMP2 P08253 7/20 0.36
MMP13 P45452 7/20 0.36
MMP9 P14780 4/20 0.36
MAPT P10636 3/20 0.36
MMP14 P50281 2/20 0.36
MAPK1 P28482 2/20 0.36
HBB P68871 1/20 0.36
HTT P42858 3/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
TSHR P16473 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
SCHEMBL6434289 0.81 CYP3A4 (0.44) CYP3A4CYP2C9PKMCYP2C19ABL1
SCHEMBL6434583 0.79 PRKDC (0.38) CYP3A4CYP2C9PKMCYP2C19LMNA
SCHEMBL7452465 0.79 ABL1 (0.33) ABL1RIN1LMNAMAPTMAPK1
SCHEMBL6433272 0.77 MMP2 (0.44) CYP3A4CYP2C9PKMCYP2C19ABL1
SCHEMBL6095578 0.74 CA12 (0.46) MMP2MMP13MMP9MMP14
SCHEMBL6435224 0.71 CYP3A4 (0.48) CYP3A4CYP2C9PKMCYP2C19MMP2
SCHEMBL6433171 0.71 CYP2C19 (0.45) CYP3A4CYP2C9PKMCYP2C19LMNA
SCHEMBL5840308 0.67 MEN1 (0.36) PKMLMNAMMP2MMP13MMP9
SCHEMBL6584117 0.67 LMNA (0.46) PKMLMNAKMT2AMEN1TSHR
SCHEMBL31753726 0.67 LMNA (0.46) PKMLMNAKMT2AMEN1TSHR

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-1181017-B1 METALLOPROTEASE INHIBITORS PFIZER LTD (GB) 2003-04-16 EP claimed
US-6511993-B1 Substituted alpha-aminosulphonyl-acetohydroxamic acids which are inhibitors of zinc-dependent metalloprotease enzymes PFIZER INC. 2003-01-28 US claimed
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 CYP3A4 4668/4885CYP2C9 4559/4885PKM 3257/4885
US-20050026836-A1 Composition for the treatment of damaged tissue MMP1, SERPINE1, COL14A1 CYP3A4 4668/4885CYP2C9 4559/4885PKM 3257/4885

“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.