SCHEMBL6931508

SCHEMBL6931508

O=C(O)CCC(=O)c1ccc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.60
HDAC11 Q96DB2 1/20 0.60
HDAC8 Q9BY41 1/20 0.60
HDAC6 Q9UBN7 1/20 0.60
GAA P10253 2/20 0.58
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
NR4A2 P43354 1/20 0.47
TP53 P04637 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
FFAR1 O14842 1/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
RAB9A P51151 1/20 0.46
HIF1A Q16665 1/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPK1 P28482 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL6925985 0.83 MITF (0.66) KMT2AMEN1TP53LMNARAB9A
SCHEMBL6925556 0.80 NPC1 (0.64) KMT2AMEN1TP53SMN1; SMN2LMNA
SCHEMBL6927758 0.80 NR4A2 (0.67) GAAKMT2AMEN1NR4A2SMN1; SMN2
SCHEMBL6930314 0.79 TYK2 (0.54) GAAKMT2ANR4A2SMN1; SMN2FFAR1
SCHEMBL6926081 0.78 MEN1 (0.67) KMT2AMEN1NR4A2TP53SMN1; SMN2
SCHEMBL6932000 0.78 TP53 (0.60) KMT2AMEN1NR4A2TP53SMN1; SMN2
SCHEMBL6931300 0.78 NPC1 (0.65) HDAC3HDAC8HDAC6RAB9AHIF1A
SCHEMBL5657162 0.78 NR1H4 (0.58) HDAC3HDAC11HDAC8HDAC6GAA
SCHEMBL6929562 0.77 KCNQ3 (0.57) HDAC3HDAC8HDAC6KMT2AMEN1
SCHEMBL6929377 0.77 CYP1A1 (0.68) GAAKMT2AMEN1CA1CA2

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 HDAC3 606/4885HDAC11 603/4885HDAC8 525/4885

“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.