SCHEMBL6929562

SCHEMBL6929562

O=C(O)CCC(=O)c1ccc(NC(=O)c2ccc(C(F)(F)F)c(F)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 2/20 0.57
KCNQ2 O43526 2/20 0.57
KCNE1 P15382 2/20 0.57
KCNQ1 P51787 2/20 0.57
HDAC1 Q13547 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
CLK1 P49759 1/20 0.42
DYRK1A Q13627 1/20 0.42
MAPT P10636 2/20 0.42
LMNA P02545 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
XBP1 P17861 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TRPA1 O75762 1/20 0.42
EPHX2 P34913 1/20 0.42
NR1H4 Q96RI1 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41

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
SCHEMBL6931300 0.81 NPC1 (0.65) KCNQ3KCNQ2KCNE1KCNQ1NPC1
SCHEMBL6925985 0.78 MITF (0.66) NPC1RAB9ALMNAMEN1KMT2A
SCHEMBL6931500 0.78 GPR27 (0.56) NPC1RAB9AEPHX2NR1H4HDAC8
SCHEMBL6925556 0.78 NPC1 (0.64) KCNQ3KCNQ2KCNE1KCNQ1NPC1
SCHEMBL6931508 0.77 HDAC3 (0.60) RAB9AMAPTLMNAMEN1KMT2A
SCHEMBL30554579 0.76 P2RX1 (0.62) KCNQ3KCNQ2KCNE1KCNQ1MAPT
SCHEMBL3236593 0.76 P2RX1 (0.62) KCNQ3KCNQ2KCNE1KCNQ1MAPT
SCHEMBL6927758 0.75 NR4A2 (0.67) NPC1RAB9AMAPTLMNAMEN1
SCHEMBL6929654 0.75 KDM4E (0.68) KCNQ3KCNQ2KCNE1KCNQ1NPC1
SCHEMBL6925550 0.74 SNCA (0.60) NPC1RAB9AMAPTLMNAMEN1

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 KCNQ3 3777/4885KCNQ2 4025/4885KCNE1 2476/4885

“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.