Sugi Predict

Sugi Predict / Compounds / SCHEMBL1608704

SCHEMBL1608704

SCHEMBL1608704

CS(=O)(=O)c1cccc(OCCn2ccc3ncc(C(=O)NO)cc32)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMPD1 P17405 3/20 0.40
▸ HTT P42858 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ GRIN2B Q13224 4/20 0.37
▸ HDAC6 Q9UBN7 3/20 0.37
▸ MET P08581 2/20 0.36
▸ GRIN1 Q05586 1/20 0.36
▸ NR1H2 P55055 1/20 0.36
▸ KAT6A Q92794 2/20 0.36
▸ CLK2 P49760 1/20 0.35
▸ CDK9 P50750 1/20 0.35
▸ MST1R Q04912 1/20 0.35
▸ CLK4 Q9HAZ1 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ GCK P35557 1/20 0.35
▸ HDAC3 O15379 1/20 0.35
▸ HTR6 P50406 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ NCOR2 Q9Y618 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
SCHEMBL1607558 0.89 SMN1; SMN2 (0.41) HTTSMN1; SMN2GRIN2BHDAC6GRIN1
SCHEMBL1608495 0.86 SMN1; SMN2 (0.47) SMPD1HTTSMN1; SMN2HDAC6KAT6A
SCHEMBL1608144 0.85 HDAC6 (0.47) SMPD1HTTSMN1; SMN2GRIN2BHDAC6
SCHEMBL1607594 0.85 HDAC6 (0.50) SMPD1HTTSMN1; SMN2HDAC6HDAC3
SCHEMBL1608997 0.82 HSD17B13 (0.46) GRIN2BHDAC6METHDAC3HDAC1
SCHEMBL1607828 0.81 MCL1 (0.38) SMPD1HTTSMN1; SMN2HDAC6CLK2
SCHEMBL1608469 0.79 GRIN2B (0.47) GRIN2BGRIN1
SCHEMBL1608573 0.77 HDAC6 (0.47) HDAC6HDAC3HDAC1HDAC2NCOR2
SCHEMBL1607640 0.77 GRIN2B (0.45) GRIN2BHDAC6GRIN1HDAC3HDAC1
SCHEMBL1608260 0.77 GRIN2B (0.46) GRIN2BHDAC6GRIN1HDAC3HDAC1

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 SMPD1 617/4885HTT 341/4885SMN1; SMN2 1689/4885
US-20150320758-A1 SELECTIVE INHIBITORS OF HISTONE DEACTYLASE HDAC8, HDAC1, HDAC5 SMPD1 413/4885HTT 290/4885SMN1; SMN2 1847/4885
US-20140004174-A1 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE HDAC8, HDAC1, HDAC11 SMPD1 617/4885HTT 341/4885SMN1; SMN2 1689/4885

“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.