SCHEMBL6435679

SCHEMBL6435679

COC(=O)C1(S(=O)(=O)N2CCC(c3ccc(Br)c(C)c3)CC2)CCN(Cc2ccccc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
DRD2 P14416 2/20 0.46
MMP1 P03956 6/20 0.44
MMP9 P14780 6/20 0.44
MMP13 P45452 6/20 0.44
ADAM17 P78536 6/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
CCR5 P51681 2/20 0.41
CHRM4 P08173 2/20 0.40
ADAMTS4 O75173 1/20 0.40

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
SCHEMBL6969295 0.92 DRD2 (0.48) CYP3A4CYP2D6CYP2C9CYP2C19DRD2
SCHEMBL6434289 0.82 CYP3A4 (0.44) CYP3A4CYP2C9CYP2C19MMP1MMP9
SCHEMBL6435225 0.81 MMP3 (0.38) MMP1MMP9KMT2AMMP2MMP3
SCHEMBL6973071 0.81 DRD2 (0.38) CYP3A4CYP2D6CYP2C9CYP2C19DRD2
SCHEMBL6437561 0.80 MMP3 (0.38) MMP1MMP9KMT2AMMP2MMP3
SCHEMBL6438533 0.80 MMP3 (0.38) MMP1MMP9KMT2AMMP2MMP3
SCHEMBL6432948 0.79 MMP2 (0.51) CYP3A4CYP2D6CYP2C9CYP2C19DRD2
SCHEMBL6436433 0.76 MMP3 (0.35) MMP1MMP9KMT2AMMP2MMP3
SCHEMBL6437442 0.76 MMP3 (0.35) MMP1MMP9KMT2AMMP2MMP3
SCHEMBL6966717 0.74 MAPT (0.36) MMP1MMP9KMT2AMMP2MMP3

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-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
EP-1242120-A2 COMBINATIONS OF GROWTH FACTORS AND I:UPA OR I:MMP FOR THE TREATMENT OF DAMAGED TISSUE Pfizer Limited (GB) 2002-09-25 EP disclosed
WO-2001049309-A2 COMBINATIONS OF GROWTH FACTORS AND I: UPA OR I: MMP FOR THE TREATMENT OF DAMAGED TISSUE PFIZER LIMITED (GB) 2001-07-12 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 (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 4668/4885CYP2D6 4738/4885CYP2C9 4559/4885
US-20050026836-A1 Composition for the treatment of damaged tissue MMP1, SERPINE1, COL14A1 CYP3A4 4668/4885CYP2D6 4738/4885CYP2C9 4559/4885

“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.