SCHEMBL355191

SCHEMBL355191

COC(=O)c1ccc2c(c1)CC(NS(=O)(=O)c1ccccc1)CC2

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 11/20 0.59
HDAC6 Q9UBN7 2/20 0.59
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
ACHE P22303 2/20 0.46
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
APOB P04114 1/20 0.44
MTTP P55157 1/20 0.44
PNMT P11086 1/20 0.44

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
SCHEMBL354885 0.85 HDAC8 (0.80) HDAC8HDAC6
SCHEMBL5071624 0.82 PSEN1 (0.64) ALDH1A1
SCHEMBL469781 0.81 MTNR1A (0.51) HDAC8HDAC6CA1CA2ACHE
SCHEMBL15906487 0.81 HDAC8 (0.57) HDAC8HDAC6CA1CA2ACHE
SCHEMBL803521 0.81 CYP1A2 (0.54) ALDH1A1
SCHEMBL464149 0.80 MTNR1A (0.50) HDAC8HDAC6CA1CA2ACHE
SCHEMBL10405919 0.78 ALDH1A1 (0.61) HDAC8HDAC6ALDH1A1LMNAAPOB
SCHEMBL10405754 0.78 APOB (0.57) HDAC8HDAC6APOBMTTP
SCHEMBL355482 0.77 EPHX2 (0.53) CA1CA2ACHEMTNR1AMTNR1B
SCHEMBL462300 0.77 HDAC8 (0.81) 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 6 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
WO-2012012322-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-26 WO disclosed
WO-2012012322-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-26 WO 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.