SCHEMBL3464055

SCHEMBL3464055

CC(C)C[C@H](C(=O)O)N(C=CC=O)Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 4/20 0.44
MMP3 P08254 3/20 0.44
MMP8 P22894 3/20 0.43
MMP2 P08253 2/20 0.43
MMP9 P14780 2/20 0.43
MMP7 P09237 1/20 0.43
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39
NR4A2 P43354 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
MMP13 P45452 1/20 0.38
HPGD P15428 1/20 0.38
ACE P12821 1/20 0.37
ANPEP P15144 1/20 0.36
RNPEP Q9H4A4 1/20 0.36

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
SCHEMBL3463975 1.00 MMP1 (0.44) MMP1MMP3MMP8MMP2MMP9
SCHEMBL3464052 1.00 MMP1 (0.44) MMP1MMP3MMP8MMP2MMP9
SCHEMBL3463972 1.00 MMP1 (0.44) MMP1MMP3MMP8MMP2MMP9
SCHEMBL19975346 0.86 MMP1 (0.48) MMP1MMP3MMP8MMP2MMP9
SCHEMBL9329102 0.76 MMP1 (0.52) MMP1MMP3MMP8MMP2MMP9
SCHEMBL7372235 0.75 NR4A2 (0.55) MMP1MMP3MMP8MMP2MMP9
SCHEMBL3039559 0.75 NR4A2 (0.55) MMP1MMP3MMP8MMP2MMP9
SCHEMBL19975073 0.75 MMP1 (0.46) MMP1MMP3MMP8MMP2MMP9
SCHEMBL19974954 0.75 MMP1 (0.46) MMP1MMP3MMP8MMP2MMP9
Hydrochloric Acid SCHEMBL3046435 0.74 NR4A2 (0.54) MMP1MMP3MMP8MMP2MMP9

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9725407-B2 HDAC inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-08-08 US disclosed
US-20160137594-A1 HDAC INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2016-05-19 US disclosed
US-9273003-B2 Methods of treating lymphoma and rheumatoid arthritis with cyclopentyl (2S)-cyclohexyl[({6-[3-(hydroxyamino)-3-oxopropyl]pyridin-3-yl}methyl)amino]acetate GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-03-01 US disclosed
US-20140323531-A1 HDAC INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2014-10-30 US disclosed
US-8637547-B2 Compounds which inhibit members of the histone deacetylase family of enzymes and their use in the treatment of cell proliferative diseases CHROMA THERAPEUTICS LTD. (GB) 2014-01-28 US disclosed
US-20130197042-A1 HDAC INHIBITORS CHROMA THERAPEUTCS, LTD 2013-08-01 US disclosed
US-20100010010-A1 HDAC INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2010-01-14 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 (4 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-20140323531-A1 HDAC INHIBITORS HDAC1, HDAC3, HDAC2 MMP1 322/4885MMP3 347/4885MMP8 1278/4885
US-20100010010-A1 HDAC INHIBITORS HDAC1, HDAC3, HDAC2 MMP1 312/4885MMP3 355/4885MMP8 1289/4885
US-20160137594-A1 HDAC INHIBITORS HDAC1, HDAC11, HDAC2 MMP1 1003/4885MMP3 786/4885MMP8 1747/4885
US-20130197042-A1 HDAC INHIBITORS HDAC1, HDAC3, HDAC2 MMP1 322/4885MMP3 347/4885MMP8 1278/4885

“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.