SCHEMBL10197709

SCHEMBL10197709

CC(C)(C)NC(=O)c1ccc2c(c1)CC(C(=O)NO)CC2

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 16/20 0.46
SIRT2 Q8IXJ6 1/20 0.45
HDAC6 Q9UBN7 7/20 0.45
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL10249768 0.90 HDAC8 (0.51) HDAC8HDAC6
SCHEMBL346188 0.85 SIRT2 (0.45) HDAC8SIRT2HDAC6ALDH1A1
SCHEMBL10197703 0.80 PARP1 (0.46) HDAC8HDAC6
SCHEMBL19188552 0.79 HDAC6 (0.39) HDAC8SIRT2HDAC6
SCHEMBL10265063 0.77 RAF1 (0.41) HDAC8HDAC6
SCHEMBL10265275 0.75 HDAC8 (0.49) HDAC8HDAC6
SCHEMBL20812508 0.75 SIRT2 (0.56) HDAC8SIRT2HDAC6ALDH1A1
SCHEMBL20812003 0.75 ALDH1A1 (0.56) HDAC8SIRT2HDAC6ALDH1A1
SCHEMBL10252714 0.75 HDAC8 (0.48) HDAC8HDAC6
SCHEMBL346900 0.74 GHSR (0.46) HDAC8HDAC6

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-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed
WO-2012012320-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENIUM PHARMACEUTICALS, INC. (US) 2012-01-26 WO disclosed
US-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-19 US disclosed
US-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, 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-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC2 HDAC8 13/4885SIRT2 38/4885HDAC6 1/4885
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, H1-3, H1-5 HDAC8 19/4885SIRT2 72/4885HDAC6 1/4885

“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.