Sugi Predict

Sugi Predict / Compounds / SCHEMBL1618478

SCHEMBL1618478

SCHEMBL1618478

CCOC(=O)c1cnc(N2CCN(S(=O)(=O)c3ccc(-c4cccc(OC)c4)cc3)CC2)nc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 10/20 0.52
▸ BCHE P06276 7/20 0.52
▸ TP53 P04637 1/20 0.50
▸ GBA1 P04062 1/20 0.49
▸ CYP2C9 P11712 1/20 0.48
▸ PIK3CD O00329 1/20 0.47
▸ PIK3CA P42336 1/20 0.47
▸ PIK3CG P48736 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ P2RY12 Q9H244 1/20 0.47
▸ THRB P10828 1/20 0.47

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
SCHEMBL1618351 0.89 GBA1 (0.60) ACHEBCHEGBA1CYP2C9
SCHEMBL1617044 0.88 PIK3CD (0.51) TP53GBA1PIK3CDPIK3CAPIK3CG
SCHEMBL1618746 0.86 GBA1 (0.48) ACHEBCHEGBA1CYP2C9
SCHEMBL1617523 0.85 HDAC3 (0.64) TP53PIK3CDPIK3CAPIK3CGKMT2A
SCHEMBL1618757 0.83 GBA1 (0.46) ACHEBCHEGBA1CYP2C9
SCHEMBL1618495 0.83 CYP2C9 (0.46) ACHEBCHEGBA1CYP2C9
SCHEMBL14548525 0.83 MAPT (0.46) P2RY12
SCHEMBL1617008 0.81 HDAC3 (0.68) ACHEBCHEGBA1CYP2C9KMT2A
SCHEMBL1617226 0.81 CYP2C9 (0.58) ACHEBCHEGBA1CYP2C9P2RY12
SCHEMBL1618457 0.81 GBA1 (0.51) ACHEBCHEGBA1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8865720-B2 Sulfonyl-derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA NV (BE) 2014-10-21 — — US disclosed
US-8865720-B2 Sulfonyl-derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA NV (BE) 2014-10-21 — — US disclosed
US-20140038979-A1 SULFONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA NV (BE) 2014-02-06 — — US disclosed
US-20140038979-A1 SULFONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA NV (BE) 2014-02-06 — — US disclosed
US-8557825-B2 Sulfonyl-derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2013-10-15 — — US disclosed
US-8557825-B2 Sulfonyl-derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2013-10-15 — — US disclosed
US-20120088754-A1 SULFONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE EMELEN KRISTOF VAN (BE) 2012-04-12 — — US disclosed
US-20120088754-A1 SULFONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE EMELEN KRISTOF VAN (BE) 2012-04-12 — — US disclosed
US-8097611-B2 Sulfonyl-derivatives as novel or histone deacetylase JANSSEN PHARMACEUTICA, N.V. (BE) 2012-01-17 — — US disclosed
US-20100240639-A1 Sulfonyl-Derivatives as Novel or Histone Deacetylase VAN EMELEN KRISTOF 2010-09-23 — — US disclosed
US-7709487-B2 anticancer agents; can be combined with other HDAC inhibitors JANSSEN PHARMACEUTICA NV (BE) 2010-05-04 — — US disclosed
US-7709487-B2 anticancer agents; can be combined with other HDAC inhibitors JANSSEN PHARMACEUTICA NV (BE) 2010-05-04 — — US disclosed
US-7704998-B2 anticancer agents; catalytic hydrogenation JANSSEN PHARMACEUTICA N.V. (BE) 2010-04-27 — — US disclosed
US-7704998-B2 anticancer agents; catalytic hydrogenation JANSSEN PHARMACEUTICA N.V. (BE) 2010-04-27 — — US disclosed
US-20080108601-A1 anticancer agents; catalytic hydrogenation VAN EMELEN KRISTOF 2008-05-08 — — US disclosed
US-20080108601-A1 anticancer agents; catalytic hydrogenation VAN EMELEN KRISTOF 2008-05-08 — — US disclosed
US-20070142393-A1 SULFONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE EMELEN KRISTOF V 2007-06-21 — — US disclosed
US-20070142393-A1 SULFONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE EMELEN KRISTOF V 2007-06-21 — — US disclosed
US-7205304-B2 medicine to inhibit proliferative conditions, such as cancer and psoriasis JANSSEN PHARMACEUTICA N.V. (BE) 2007-04-17 — — 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 (5 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-20120088754-A1 SULFONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC3, HDAC1, HDAC11 ACHE 1153/4885BCHE 1600/4885TP53 2786/4885
US-20140038979-A1 SULFONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC3, HDAC1, HDAC11 ACHE 1153/4885BCHE 1600/4885TP53 2786/4885
US-20100240639-A1 Sulfonyl-Derivatives as Novel or Histone Deacetylase HDAC3, HDAC1, HDAC11 ACHE 1092/4885BCHE 1439/4885TP53 2805/4885
US-20070142393-A1 SULFONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC3, HDAC1, HDAC11 ACHE 1153/4885BCHE 1600/4885TP53 2786/4885
US-20080108601-A1 anticancer agents; catalytic hydrogenation HDAC1, HDAC11, HDAC3 ACHE 1692/4885BCHE 1426/4885TP53 139/4885

“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.