Sugi Predict

Sugi Predict / Compounds / SCHEMBL1665544

SCHEMBL1665544

SCHEMBL1665544

CN1CCN(CCc2cccc(-c3ccc(S(=O)(=O)N4CCN(c5ncc(C(=O)NO)cn5)CC4)cc3)c2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 8/20 0.55
▸ HDAC1 Q13547 8/20 0.55
▸ HDAC2 Q92769 8/20 0.55
▸ HDAC6 Q9UBN7 8/20 0.55
▸ HDAC4 P56524 7/20 0.55
▸ HDAC7 Q8WUI4 7/20 0.55
▸ HDAC10 Q969S8 7/20 0.55
▸ HDAC11 Q96DB2 7/20 0.55
▸ HDAC8 Q9BY41 7/20 0.55
▸ HDAC9 Q9UKV0 7/20 0.55
▸ HDAC5 Q9UQL6 7/20 0.55
▸ NMT1 P30419 1/20 0.49
▸ KMT2A Q03164 4/20 0.44
▸ TSHR P16473 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ PDE5A O76074 1/20 0.43
▸ NCOR2 Q9Y618 1/20 0.43
▸ CCNE2 O96020 2/20 0.42
▸ CCNE1 P24864 2/20 0.42
▸ CDK2 P24941 2/20 0.42

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
SCHEMBL1662237 0.93 HDAC6 (0.57) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL1618021 0.93 HDAC6 (0.56) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL1663314 0.88 HDAC1 (0.60) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL1662073 0.87 HDAC3 (0.57) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL1617703 0.86 HDAC3 (0.58) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL1663186 0.85 HDAC6 (0.58) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL1663364 0.85 HDAC3 (0.54) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL1662852 0.84 HDAC3 (0.56) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL1618335 0.84 KMT2A (0.44) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL1618890 0.83 HDAC1 (0.57) HDAC3HDAC1HDAC2HDAC6HDAC4

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 20 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-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-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-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
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 HDAC3 1/4885HDAC1 2/4885HDAC2 5/4885
US-20140038979-A1 SULFONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC3, HDAC1, HDAC11 HDAC3 1/4885HDAC1 2/4885HDAC2 5/4885
US-20100240639-A1 Sulfonyl-Derivatives as Novel or Histone Deacetylase HDAC3, HDAC1, HDAC11 HDAC3 1/4885HDAC1 2/4885HDAC2 4/4885
US-20070142393-A1 SULFONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC3, HDAC1, HDAC11 HDAC3 1/4885HDAC1 2/4885HDAC2 5/4885
US-20080108601-A1 anticancer agents; catalytic hydrogenation HDAC1, HDAC11, HDAC3 HDAC3 3/4885HDAC1 1/4885HDAC2 4/4885

“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.