SCHEMBL354541

SCHEMBL354541

CC(C)(C)C(=O)NC1CCc2cc(C(=O)NO)c(F)cc2C1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 13/20 0.55
HDAC6 Q9UBN7 4/20 0.41
CA1 P00915 4/20 0.37
CA2 P00918 4/20 0.37
ACHE P22303 4/20 0.37
MTNR1A P48039 2/20 0.37
MTNR1B P49286 2/20 0.37

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
SCHEMBL354884 0.78 HDAC8 (0.54) HDAC8HDAC6
SCHEMBL355453 0.78 HDAC8 (0.60) HDAC8HDAC6
SCHEMBL354112 0.78 HDAC8 (0.60) HDAC8HDAC6
SCHEMBL444723 0.75 HDAC8 (0.69) HDAC8HDAC6
SCHEMBL10246940 0.74 HDAC8 (0.60) HDAC8HDAC6
SCHEMBL415355 0.73 MTNR1A (0.41) HDAC8CA1CA2ACHEMTNR1A
SCHEMBL10246934 0.72 HDAC8 (0.67) HDAC8HDAC6
SCHEMBL446824 0.71 HDAC8 (1.00) HDAC8HDAC6
SCHEMBL354116 0.70 MTNR1A (0.48) HDAC8HDAC6CA1CA2ACHE
SCHEMBL5889343 0.70 MTNR1A (0.45) CA1CA2ACHEMTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed
US-20120015943-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACUTICALS, INC. (US) 2012-01-19 US disclosed
US-20120015943-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACUTICALS, INC. (US) 2012-01-19 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-20120015943-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC2 HDAC8 13/4885HDAC6 1/4885CA1 506/4885
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, H1-3 HDAC8 20/4885HDAC6 1/4885CA1 725/4885

“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.