SCHEMBL6929377

SCHEMBL6929377

O=C(O)CCC(=O)Nc1ccc(C(=O)CCC(=O)O)cc1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.68
POLB P06746 3/20 0.66
KMT2A Q03164 6/20 0.62
MEN1 O00255 5/20 0.62
TP53 P04637 1/20 0.62
BCHE P06276 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
ATM Q13315 1/20 0.60
CYP3A4 P08684 1/20 0.58
CA12 O43570 1/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA4 P22748 1/20 0.58
CA9 Q16790 1/20 0.58
CA14 Q9ULX7 1/20 0.58
MAPT P10636 1/20 0.58
NR4A2 P43354 1/20 0.57
GAA P10253 2/20 0.56

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
SCHEMBL6932654 0.91 POLB (0.66) CYP1A1POLBKMT2AMEN1TP53
SCHEMBL6927772 0.91 CYP1A1 (0.56) CYP1A1POLBKMT2AMEN1TP53
SCHEMBL10412724 0.90 TP53 (0.56) CYP1A1POLBKMT2AMEN1TP53
SCHEMBL6925996 0.90 TP53 (0.62) CYP1A1POLBKMT2AMEN1TP53
SCHEMBL6926005 0.88 ALDH1A1 (0.61) CYP1A1POLBKMT2AMEN1L3MBTL1
SCHEMBL11182406 0.88 ALDH1A1 (0.56) CYP1A1POLBKMT2AMEN1TP53
SCHEMBL16509081 0.88 CYP1A1 (0.62) CYP1A1POLBKMT2AMEN1BCHE
SCHEMBL6929716 0.87 ALDH1A1 (0.67) CYP1A1POLBKMT2AMEN1L3MBTL1
SCHEMBL7824720 0.87 CYP1A1 (0.70) CYP1A1POLBKMT2AMEN1TP53
SCHEMBL6930465 0.86 MAPT (0.69) POLBKMT2AMEN1MAPTGAA

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
US-6624196-B2 Particularly gelatinase A, collagenase-3, and stromelysin-1 and for the treatment of multiple sclerosis, cardiovascular disorders WARNER-LAMBERT COMPANY 2003-09-23 US claimed
US-6541521-B1 Particularly gelatinase A, collagenase-3, and stromelysin-1 WARNER-LAMBERT COMPANY 2003-04-01 US claimed
US-20020161050-A1 Benzene butyric acids and their derivatives as inhibitors of matrix metalloproteinases WARNER-LAMBERT COMPANY (US) 2002-10-31 US claimed
US-6624196-B2 Particularly gelatinase A, collagenase-3, and stromelysin-1 and for the treatment of multiple sclerosis, cardiovascular disorders WARNER-LAMBERT COMPANY 2003-09-23 US disclosed
US-6541521-B1 Particularly gelatinase A, collagenase-3, and stromelysin-1 WARNER-LAMBERT COMPANY 2003-04-01 US disclosed
US-20020161050-A1 Benzene butyric acids and their derivatives as inhibitors of matrix metalloproteinases WARNER-LAMBERT COMPANY (US) 2002-10-31 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-20020161050-A1 Benzene butyric acids and their derivatives as inhibitors of matrix metalloproteinases MMP1, MMP8, MMP13 CYP1A1 1065/4885POLB 237/4885KMT2A 4700/4885

“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.