Sugi Predict

Sugi Predict / Compounds / SCHEMBL334234

SCHEMBL334234

SCHEMBL334234

O=C(O)c1ccc(N2CCCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCOLN3 Q8TDD5 2/20 0.59
▸ TSHR P16473 1/20 0.59
▸ PKM P14618 2/20 0.58
▸ LMNA P02545 1/20 0.58
▸ HTT P42858 1/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.58
▸ MEN1 O00255 2/20 0.57
▸ KMT2A Q03164 2/20 0.57
▸ CTDSP1 Q9GZU7 1/20 0.57
▸ TDP1 Q9NUW8 1/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.57
▸ GAA P10253 1/20 0.55
▸ GBA1 P04062 1/20 0.53
▸ AKR1C3 P42330 2/20 0.53
▸ ATM Q13315 1/20 0.53
▸ MCL1 Q07820 1/20 0.53
▸ RXFP1 Q9HBX9 1/20 0.53
▸ HDAC3 O15379 1/20 0.53
▸ HDAC4 P56524 1/20 0.53
▸ HDAC1 Q13547 1/20 0.53

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
SCHEMBL1618414 0.88 HDAC6 (0.66) MCOLN3TSHRPKMLMNAHTT
SCHEMBL1618369 0.85 ALDH1A1 (0.67) TSHRPKMLMNASMN1; SMN2MEN1
SCHEMBL1662900 0.83 HDAC1 (0.71) MCOLN3TSHRPKMLMNASMN1; SMN2
SCHEMBL333808 0.83 TPSAB1 (0.48) MCOLN3TSHRPKMLMNAHTT
SCHEMBL1618393 0.82 PKM (0.55) MCOLN3TSHRPKMLMNASMN1; SMN2
SCHEMBL7071453 0.81 F10 (0.58) MCOLN3TSHRPKMLMNAHTT
SCHEMBL10901539 0.81 GCK (0.61) TSHRPKMLMNAMEN1KMT2A
SCHEMBL334481 0.79 MCOLN3 (0.61) MCOLN3TSHRPKMLMNAHTT
SCHEMBL10225767 0.78 HSD17B10 (0.54) TSHRPKMLMNASMN1; SMN2MEN1
SCHEMBL335493 0.78 HDAC3 (0.78) MCOLN3TSHRPKMLMNASMN1; SMN2

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 15 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-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-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-7704998-B2 anticancer agents; catalytic hydrogenation JANSSEN PHARMACEUTICA N.V. (BE) 2010-04-27 — — US disclosed
EP-1485365-B1 SULFONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA NV (BE) 2008-05-14 — — EP 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-7205304-B2 medicine to inhibit proliferative conditions, such as cancer and psoriasis JANSSEN PHARMACEUTICA N.V. (BE) 2007-04-17 — — US disclosed
US-20050113373-A1 medicine to inhibit proliferative conditions, such as cancer and psoriasis; detecting or identifying a histone deactylase (HDAC) in a biological sample JANSSEN PHARMACEUTICA N.V. (BE) 2005-05-26 — — US disclosed
EP-1485365-A1 SULFONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2004-12-15 — — EP disclosed
WO-2003076422-A1 SULFONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2003-09-18 — — WO 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 (6 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 MCOLN3 3686/4885TSHR 773/4885PKM 424/4885
US-20050113373-A1 medicine to inhibit proliferative conditions, such as cancer and psoriasis; detecting or identifying a histone deactylase (HDAC) in a biological sample HDAC1, HDAC11, HDAC4 MCOLN3 3212/4885TSHR 3074/4885PKM 422/4885
US-20140038979-A1 SULFONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC3, HDAC1, HDAC11 MCOLN3 3686/4885TSHR 773/4885PKM 424/4885
US-20100240639-A1 Sulfonyl-Derivatives as Novel or Histone Deacetylase HDAC3, HDAC1, HDAC11 MCOLN3 3711/4885TSHR 613/4885PKM 652/4885
US-20070142393-A1 SULFONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC3, HDAC1, HDAC11 MCOLN3 3686/4885TSHR 773/4885PKM 424/4885
US-20080108601-A1 anticancer agents; catalytic hydrogenation HDAC1, HDAC11, HDAC3 MCOLN3 3975/4885TSHR 1984/4885PKM 1021/4885

“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.