SCHEMBL6931395

SCHEMBL6931395

O=C(O)CCC(=O)c1ccc(NC(=O)Oc2ccc(Cl)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.52
KMT2A Q03164 6/20 0.50
MEN1 O00255 5/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MMP1 P03956 1/20 0.50
KCNH2 Q12809 1/20 0.49
ALDH1A1 P00352 5/20 0.48
MAPT P10636 3/20 0.48
POLB P06746 2/20 0.48
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
THRB P10828 1/20 0.45
HPGD P15428 1/20 0.45
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL6931428 0.87 ALDH1A1 (0.59) TP53KMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL6930455 0.86 FAAH (0.56) TP53KMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL6931746 0.86 KMT2A (0.52) TP53KMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL6926773 0.86 ALDH1A1 (0.62) TP53KMT2AMEN1SMN1; SMN2MMP1
SCHEMBL6930634 0.86 KMT2A (0.62) TP53KMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL6926103 0.83 TRPV1 (0.50) MMP1ALDH1A1POLBRAB9ANPC1
SCHEMBL6931350 0.83 TP53 (0.60) TP53KMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL6929615 0.82 KMT2A (0.64) TP53KMT2AMEN1MMP1ALDH1A1
SCHEMBL6925253 0.81 TP53 (0.58) TP53KMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL27637403 0.80 KMT2A (0.51) KMT2AMEN1SMN1; SMN2MMP1ALDH1A1

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 TP53 2228/4885KMT2A 4700/4885MEN1 3055/4885

“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.