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Sugi Predict / Compounds / SCHEMBL1608599

SCHEMBL1608599

SCHEMBL1608599

CS(=O)(=O)c1ccc(OCCn2ccc3ccc(C(=O)NO)nc32)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 3/20 0.38
▸ HDAC1 Q13547 3/20 0.38
▸ HDAC2 Q92769 3/20 0.38
▸ HDAC6 Q9UBN7 3/20 0.38
▸ NCOR2 Q9Y618 3/20 0.38
▸ HDAC8 Q9BY41 2/20 0.38
▸ JAK2 O60674 3/20 0.37
▸ JAK3 P52333 3/20 0.37
▸ PTK2 Q05397 3/20 0.37
▸ SMPD1 P17405 2/20 0.37
▸ MCL1 Q07820 1/20 0.37
▸ MTNR1A P48039 2/20 0.36
▸ MTNR1B P49286 2/20 0.36
▸ MMP1 P03956 4/20 0.36
▸ MMP13 P45452 3/20 0.36
▸ MMP9 P14780 2/20 0.36
▸ ADAM17 P78536 2/20 0.36
▸ HTR6 P50406 1/20 0.35
▸ ADAMTS4 O75173 1/20 0.35
▸ MMP2 P08253 1/20 0.35

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
SCHEMBL1607813 0.88 HDAC3 (0.38) HDAC3HDAC1HDAC2HDAC6NCOR2
SCHEMBL15399900 0.85 HDAC8 (0.46) HDAC3HDAC1HDAC2HDAC6HDAC8
SCHEMBL1608055 0.82 HDAC6 (0.43) HDAC3HDAC1HDAC2HDAC6NCOR2
SCHEMBL1608477 0.81 HDAC6 (0.42) HDAC3HDAC1HDAC2HDAC6NCOR2
SCHEMBL1609004 0.80 ATF4 (0.40) HDAC3HDAC1HDAC2HDAC6NCOR2
SCHEMBL1607786 0.79 HDAC6 (0.55) HDAC3HDAC1HDAC2HDAC6NCOR2
SCHEMBL1608334 0.78 ATF4 (0.42) HDAC3HDAC1HDAC2HDAC6HDAC8
SCHEMBL1609207 0.78 ATF4 (0.48) HDAC6MCL1
SCHEMBL24071315 0.77 HDAC6 (0.49) HDAC3HDAC1HDAC2HDAC6NCOR2
SCHEMBL1608085 0.74 ADRA1D (0.41) HDAC3HDAC1HDAC2HDAC6NCOR2

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 HDAC3 9/4885HDAC1 2/4885HDAC2 7/4885
US-20150320758-A1 SELECTIVE INHIBITORS OF HISTONE DEACTYLASE HDAC8, HDAC1, HDAC5 HDAC3 9/4885HDAC1 2/4885HDAC2 4/4885
US-20140004174-A1 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE HDAC8, HDAC1, HDAC11 HDAC3 9/4885HDAC1 2/4885HDAC2 7/4885

“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.