Sugi Predict

Sugi Predict / Compounds / SCHEMBL1608997

SCHEMBL1608997

SCHEMBL1608997

CS(=O)(=O)c1cccc(Cn2ccc3ncc(C(=O)NO)cc32)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B13 Q7Z5P4 1/20 0.46
▸ HDAC6 Q9UBN7 7/20 0.41
▸ HDAC1 Q13547 6/20 0.41
▸ ADRA1D P25100 1/20 0.40
▸ HDAC8 Q9BY41 5/20 0.40
▸ HDAC2 Q92769 4/20 0.40
▸ HDAC10 Q969S8 3/20 0.40
▸ HDAC3 O15379 3/20 0.40
▸ HDAC9 Q9UKV0 2/20 0.40
▸ HDAC11 Q96DB2 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ HDAC4 P56524 1/20 0.40
▸ HDAC7 Q8WUI4 1/20 0.40
▸ HDAC5 Q9UQL6 1/20 0.40
▸ NCOR2 Q9Y618 1/20 0.40
▸ VNN1 O95497 4/20 0.40
▸ IDO1 P14902 1/20 0.39
▸ MET P08581 1/20 0.39

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
SCHEMBL1608573 0.89 HDAC6 (0.47) HSD17B13HDAC6HDAC1HDAC8HDAC2
SCHEMBL1608411 0.85 ALDH1A1 (0.47) HDAC6HDAC1HDAC8HDAC2HDAC10
SCHEMBL1608412 0.84 HDAC1 (0.55) HSD17B13HDAC6HDAC1HDAC8HDAC2
SCHEMBL1608137 0.84 HDAC6 (0.54) HDAC6HDAC1HDAC8HDAC2HDAC10
SCHEMBL1608521 0.83 MAOB (0.48) HDAC6HDAC1HDAC8HDAC2HDAC3
SCHEMBL1608408 0.83 HDAC1 (0.55) HDAC6HDAC1HDAC8HDAC2HDAC10
SCHEMBL1608520 0.82 HDAC6 (0.55) HDAC6HDAC1HDAC8HDAC2HDAC10
SCHEMBL1608704 0.82 SMPD1 (0.40) HDAC6HDAC1HDAC2HDAC3NCOR2
SCHEMBL1609246 0.82 HDAC8 (0.60) HDAC6HDAC1ADRA1DHDAC8HDAC2
SCHEMBL1608416 0.82 HDAC6 (0.57) HDAC6HDAC1HDAC8HDAC2HDAC10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150320758-A1 SELECTIVE INHIBITORS OF HISTONE DEACTYLASE PHARMACYCLICS LLC 2015-11-12 — — US disclosed
US-8906954-B2 Selective inhibitors of histone deacetylase PHARMACYCLICS, INC. (US) 2014-12-09 — — US disclosed
US-20140004174-A1 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS, INC. (US) 2014-01-02 — — US disclosed
US-8466193-B2 Selective inhibitors of histone deacetylase PHARMACYCLICS, INC. (US) 2013-06-18 — — US disclosed
US-20110081409-A1 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS LLC 2011-04-07 — — 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 (3 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-20110081409-A1 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE HDAC8, HDAC1, HDAC11 HSD17B13 1731/4885HDAC6 11/4885HDAC1 2/4885
US-20150320758-A1 SELECTIVE INHIBITORS OF HISTONE DEACTYLASE HDAC8, HDAC1, HDAC5 HSD17B13 2051/4885HDAC6 11/4885HDAC1 2/4885
US-20140004174-A1 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE HDAC8, HDAC1, HDAC11 HSD17B13 1731/4885HDAC6 11/4885HDAC1 2/4885

“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.