SCHEMBL12320083

SCHEMBL12320083

C[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1cc(C(=O)NO)cn1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP7 P09237 3/20 0.48
MMP1 P03956 3/20 0.48
MMP9 P14780 2/20 0.48
MMP2 P08253 1/20 0.48
MMP3 P08254 1/20 0.48
MMP13 P45452 1/20 0.48
SLC1A3 P43003 1/20 0.47
SLC1A2 P43004 1/20 0.47
SLC1A1 P43005 1/20 0.47
MMP10 P09238 1/20 0.45
HDAC8 Q9BY41 3/20 0.44
EEF2K O00418 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HDAC6 Q9UBN7 3/20 0.41
ADAMTS4 O75173 1/20 0.41
ADAM17 P78536 1/20 0.41
ADAMTS1 Q9UHI8 1/20 0.41
ADAMTS7 Q9UKP4 1/20 0.41
ADAMTS5 Q9UNA0 1/20 0.41
SCN5A Q14524 1/20 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
SCHEMBL2412670 0.80 MMP7 (0.52) MMP7MMP1MMP9MMP2MMP3
SCHEMBL2413093 0.80 MMP7 (0.52) MMP7MMP1MMP9MMP2MMP3
SCHEMBL2406492 0.78 EEF2K (0.49) MMP7MMP1MMP9MMP2MMP3
SCHEMBL2409311 0.77 MMP7 (0.54) MMP7MMP1MMP9MMP2MMP3
SCHEMBL2409731 0.77 HDAC8 (0.47) MMP7MMP1MMP9MMP2MMP3
SCHEMBL6919178 0.76 HDAC3 (0.52) MMP7MMP1MMP9MMP2MMP3
SCHEMBL6919174 0.73 ALKBH2 (0.49) MMP7MMP1MMP9MMP2MMP3
SCHEMBL2406751 0.73 MMP7 (0.49) MMP7MMP1MMP9MMP2MMP3
SCHEMBL2409492 0.71 NPSR1 (0.58) MMP7MMP1MMP9MMP2MMP13
SCHEMBL2408091 0.69 HDAC8 (0.64) SLC1A2HDAC8EEF2KHDAC6HDAC3

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-9227951-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-01-05 US disclosed
US-9227951-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-01-05 US disclosed
US-20140228416-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-14 US disclosed
US-20140228416-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-14 US disclosed
US-8546588-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-10-01 US disclosed
US-20110213003-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-01 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 (2 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-20110213003-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC3 MMP7 871/4885MMP1 443/4885MMP9 887/4885
US-20140228416-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC3 MMP7 871/4885MMP1 443/4885MMP9 887/4885

“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.