Sugi Predict

Sugi Predict / Compounds / SCHEMBL1663261

SCHEMBL1663261

SCHEMBL1663261

COc1ccc(C2=CCC(S(=O)(=O)N3CCN(c4ncc(C(=O)NO)cn4)CC3)C=C2)c(OC)c1OC

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 16/20 0.43
▸ HDAC6 Q9UBN7 16/20 0.43
▸ HDAC3 O15379 10/20 0.43
▸ HDAC2 Q92769 10/20 0.43
▸ HDAC4 P56524 7/20 0.43
▸ HDAC7 Q8WUI4 7/20 0.43
▸ HDAC10 Q969S8 7/20 0.43
▸ HDAC11 Q96DB2 7/20 0.43
▸ HDAC8 Q9BY41 7/20 0.43
▸ HDAC9 Q9UKV0 7/20 0.43
▸ HDAC5 Q9UQL6 7/20 0.43
▸ MAPT P10636 1/20 0.41
▸ KDM1A O60341 2/20 0.39
▸ EHMT2 Q96KQ7 1/20 0.38
▸ NCOR2 Q9Y618 2/20 0.37
▸ DNMT1 P26358 1/20 0.37

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
SCHEMBL10225860 0.79 HDAC6 (0.48) HDAC1HDAC6HDAC3HDAC2HDAC4
SCHEMBL10224693 0.78 HDAC6 (0.47) HDAC1HDAC6HDAC3HDAC2HDAC4
SCHEMBL10231656 0.78 HDAC3 (0.55) HDAC1HDAC6HDAC3HDAC2HDAC4
SCHEMBL1663318 0.77 HDAC6 (0.48) HDAC1HDAC6HDAC3HDAC2HDAC4
SCHEMBL10224696 0.76 HDAC6 (0.43) HDAC1HDAC6HDAC3HDAC2HDAC4
SCHEMBL10225607 0.75 HDAC1 (0.47) HDAC1HDAC6HDAC3HDAC2HDAC4
SCHEMBL1662746 0.75 HDAC6 (0.42) HDAC1HDAC6HDAC3HDAC2HDAC4
SCHEMBL1662954 0.74 HDAC6 (0.41) HDAC1HDAC6HDAC3HDAC2HDAC4
SCHEMBL1668201 0.72 HDAC6 (0.49) HDAC1HDAC6HDAC3HDAC2HDAC4
SCHEMBL1663071 0.71 HDAC6 (0.50) HDAC1HDAC6HDAC3HDAC2HDAC4

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-20120088754-A1 SULFONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE EMELEN KRISTOF VAN (BE) 2012-04-12 — — 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-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

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-20120088754-A1 SULFONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC3, HDAC1, HDAC11 HDAC1 2/4885HDAC6 8/4885HDAC3 1/4885
US-20070142393-A1 SULFONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC3, HDAC1, HDAC11 HDAC1 2/4885HDAC6 8/4885HDAC3 1/4885
US-20080108601-A1 anticancer agents; catalytic hydrogenation HDAC1, HDAC11, HDAC3 HDAC1 1/4885HDAC6 5/4885HDAC3 3/4885

“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.