SCHEMBL6919174

SCHEMBL6919174

CC(C)[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1cc(C(=O)NO)ccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALKBH2 Q6NS38 1/20 0.49
ALKBH5 Q6P6C2 1/20 0.49
ALKBH3 Q96Q83 1/20 0.49
FTO Q9C0B1 1/20 0.49
MMP7 P09237 3/20 0.47
MMP9 P14780 2/20 0.47
MMP13 P45452 2/20 0.47
MMP1 P03956 2/20 0.47
MMP2 P08253 1/20 0.47
MMP3 P08254 1/20 0.47
MMP10 P09238 1/20 0.44
SLC1A3 P43003 1/20 0.44
SLC1A2 P43004 1/20 0.44
SLC1A1 P43005 1/20 0.44
HDAC1 Q13547 3/20 0.44
KDM1A O60341 1/20 0.44
HDAC8 Q9BY41 3/20 0.43
ADAMTS4 O75173 1/20 0.41
HDAC6 Q9UBN7 4/20 0.41
HDAC3 O15379 3/20 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
SCHEMBL12280162 0.87 PTGS2 (0.48) ALKBH2ALKBH5ALKBH3FTOMMP7
SCHEMBL6920014 0.85 ALKBH2 (0.47) ALKBH2ALKBH5ALKBH3FTOMMP7
SCHEMBL2409311 0.83 MMP7 (0.54) MMP7MMP9MMP13MMP1MMP2
SCHEMBL6919178 0.76 HDAC3 (0.52) ALKBH2ALKBH5ALKBH3FTOMMP7
SCHEMBL2406492 0.75 EEF2K (0.49) MMP7MMP9MMP13MMP1MMP2
SCHEMBL2413093 0.75 MMP7 (0.52) MMP7MMP9MMP13MMP1MMP2
SCHEMBL2412670 0.75 MMP7 (0.52) MMP7MMP9MMP13MMP1MMP2
SCHEMBL2409731 0.74 HDAC8 (0.47) MMP7MMP9MMP13MMP1MMP2
SCHEMBL12320083 0.73 MMP7 (0.48) ALKBH2ALKBH5ALKBH3FTOMMP7
SCHEMBL12279924 0.72 PTGS2 (0.46) ALKBH2ALKBH5ALKBH3FTOMMP2

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-9382197-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-07-05 US disclosed
US-9382197-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-07-05 US disclosed
US-20140275093-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-09-18 US disclosed
US-20140275093-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-09-18 US disclosed
WO-2011106632-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-01 WO disclosed
US-20110212969-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-20140275093-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC10, HDAC1 ALKBH2 4379/4885ALKBH5 4218/4885ALKBH3 4488/4885
US-20110212969-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC10, HDAC1 ALKBH2 4379/4885ALKBH5 4218/4885ALKBH3 4488/4885

“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.