SCHEMBL6930465

SCHEMBL6930465

O=C(O)CCC(=O)c1ccc(NC(=O)CCc2ccccc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.69
HTT P42858 1/20 0.69
HDAC1 Q13547 4/20 0.60
LMNA P02545 1/20 0.60
RAB9A P51151 1/20 0.59
NPY5R Q15761 1/20 0.59
GAA P10253 2/20 0.59
HDAC3 O15379 3/20 0.58
HDAC4 P56524 3/20 0.58
HDAC7 Q8WUI4 3/20 0.58
HDAC2 Q92769 3/20 0.58
HDAC10 Q969S8 3/20 0.58
HDAC11 Q96DB2 3/20 0.58
HDAC8 Q9BY41 3/20 0.58
HDAC6 Q9UBN7 3/20 0.58
HDAC9 Q9UKV0 3/20 0.58
HDAC5 Q9UQL6 3/20 0.58
TSHR P16473 1/20 0.58
POLB P06746 3/20 0.57
MEN1 O00255 2/20 0.57

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
SCHEMBL6929656 0.87 EPHX2 (0.65) MAPTHTTHDAC1LMNARAB9A
SCHEMBL6929377 0.86 CYP1A1 (0.68) MAPTGAAPOLBMEN1KMT2A
SCHEMBL2003074 0.84 MAPT (0.77) MAPTHTTHDAC1LMNARAB9A
SCHEMBL6932567 0.83 MAPT (0.61) MAPTHTTHDAC1LMNARAB9A
SCHEMBL6932571 0.83 MAPT (0.61) MAPTHTTHDAC1LMNARAB9A
SCHEMBL3061430 0.82 MAPT (1.00) MAPTHTTHDAC1LMNARAB9A
SCHEMBL6932654 0.81 POLB (0.66) MAPTGAAPOLBMEN1KMT2A
SCHEMBL6927772 0.81 CYP1A1 (0.56) LMNARAB9AGAAPOLBMEN1
SCHEMBL12064824 0.81 L3MBTL1 (0.71) MAPTHDAC1LMNARAB9AGAA
Hydrochloric Acid SCHEMBL27689202 0.81 MAPT (0.96) MAPTHTTHDAC1LMNARAB9A

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 MAPT 718/4885HTT 683/4885HDAC1 401/4885

“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.