SCHEMBL6926798

SCHEMBL6926798

CC(C)(C)c1ccc(C(=O)Nc2ccc(/C(CCC(=O)O)=N/O)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 6/20 0.66
HDAC3 O15379 1/20 0.57
HDAC11 Q96DB2 1/20 0.57
HDAC8 Q9BY41 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
TRPV1 Q8NER1 4/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
KCNK9 Q9NPC2 1/20 0.53
LMNA P02545 2/20 0.52
MAPT P10636 1/20 0.52
MEN1 O00255 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
KMT2A Q03164 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 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
SCHEMBL6926800 1.00 NR1H4 (0.66) NR1H4HDAC3HDAC11HDAC8HDAC6
SCHEMBL6930112 0.86 NPC1 (0.61) NR1H4TRPV1NPC1RAB9ASMN1; SMN2
SCHEMBL6930113 0.86 NPC1 (0.61) NR1H4TRPV1NPC1RAB9ASMN1; SMN2
SCHEMBL6929457 0.86 NPC1 (0.57) NR1H4NPC1RAB9ASMN1; SMN2KCNK9
SCHEMBL6929458 0.86 NPC1 (0.57) NR1H4NPC1RAB9ASMN1; SMN2KCNK9
SCHEMBL7865400 0.85 LMNA (0.50) NR1H4HDAC8RAB9ASMN1; SMN2LMNA
SCHEMBL7865399 0.85 LMNA (0.50) NR1H4HDAC8RAB9ASMN1; SMN2LMNA
SCHEMBL6926156 0.84 NR1H4 (0.52) NR1H4TRPV1NPC1RAB9ASMN1; SMN2
SCHEMBL6926157 0.84 NR1H4 (0.52) NR1H4TRPV1NPC1RAB9ASMN1; SMN2
SCHEMBL6929421 0.84 ALDH1A1 (0.56) RAB9ASMN1; SMN2LMNAMAPTMEN1

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 NR1H4 3620/4885HDAC3 606/4885HDAC11 603/4885

“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.