Sugi Predict

Sugi Predict / Compounds / SCHEMBL1608495

SCHEMBL1608495

SCHEMBL1608495

CS(=O)(=O)c1cccc(OCCn2cnc3ccc(C(=O)NO)cc32)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ HTT P42858 1/20 0.47
▸ SMPD1 P17405 3/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ HDAC6 Q9UBN7 4/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ MTNR1A P48039 1/20 0.39
▸ MTNR1B P49286 1/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ HSD17B13 Q7Z5P4 1/20 0.39
▸ KAT6A Q92794 1/20 0.38
▸ CLK2 P49760 1/20 0.38
▸ CDK9 P50750 1/20 0.38
▸ MST1R Q04912 1/20 0.38
▸ CLK4 Q9HAZ1 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38

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
SCHEMBL1608187 0.89 SMN1; SMN2 (0.52) SMN1; SMN2HTTRAB9ANPC1L3MBTL1
SCHEMBL1608704 0.86 SMPD1 (0.40) SMN1; SMN2HTTSMPD1HDAC6HDAC1
SCHEMBL1608694 0.84 SMN1; SMN2 (0.47) SMN1; SMN2HTTSMPD1RAB9ANPC1
SCHEMBL1608224 0.84 HDAC6 (0.48) SMN1; SMN2HTTSMPD1RAB9ANPC1
SCHEMBL1607594 0.83 HDAC6 (0.50) SMN1; SMN2HTTSMPD1RAB9ANPC1
SCHEMBL1608412 0.82 HDAC1 (0.55) HDAC6HDAC1HSD17B13CDK9HSD17B10
SCHEMBL1608862 0.80 SMN1; SMN2 (0.47) SMN1; SMN2HTTSMPD1RAB9ANPC1
SCHEMBL1608435 0.79 SMN1; SMN2 (0.51) SMN1; SMN2HTTRAB9ANPC1L3MBTL1
SCHEMBL1608583 0.79 SMN1; SMN2 (0.48) SMN1; SMN2HTTRAB9ANPC1L3MBTL1
SCHEMBL1607816 0.79 SMN1; SMN2 (0.53) SMN1; SMN2HTTRAB9ANPC1L3MBTL1

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

“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.