SCHEMBL6929615

SCHEMBL6929615

O=C(O)CCC(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.64
MEN1 O00255 5/20 0.64
ALDH1A1 P00352 3/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
TP53 P04637 1/20 0.56
GAA P10253 2/20 0.56
LMNA P02545 2/20 0.56
POLB P06746 1/20 0.52
HTT P42858 1/20 0.52
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
MMP1 P03956 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51

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
SCHEMBL6926222 0.88 MLYCD (0.64) KMT2AMEN1ALDH1A1GAALMNA
SCHEMBL6929810 0.85 MEN1 (0.59) KMT2AMEN1ALDH1A1L3MBTL1GAA
SCHEMBL2610071 0.85 MEN1 (0.85) KMT2AMEN1ALDH1A1L3MBTL1GAA
SCHEMBL16082990 0.85 MEN1 (0.85) KMT2AMEN1ALDH1A1L3MBTL1GAA
SCHEMBL6931395 0.82 TP53 (0.52) KMT2AMEN1ALDH1A1TP53GAA
SCHEMBL6931350 0.81 TP53 (0.60) KMT2AMEN1ALDH1A1TP53LMNA
SCHEMBL6925253 0.79 TP53 (0.58) KMT2AMEN1ALDH1A1TP53LMNA
SCHEMBL17658572 0.78 MEN1 (0.74) KMT2AMEN1ALDH1A1L3MBTL1GAA
SCHEMBL25894434 0.78 MEN1 (0.78) KMT2AMEN1ALDH1A1L3MBTL1GAA
SCHEMBL19074860 0.78 MEN1 (0.78) KMT2AMEN1ALDH1A1L3MBTL1GAA

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 KMT2A 4700/4885MEN1 3055/4885ALDH1A1 1135/4885

“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.