SCHEMBL8248523

SCHEMBL8248523

COc1ccc(S(=O)(=O)Nc2ccc(/C=C/C(=O)NO)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 18/20 1.00
▸ HDAC4 P56524 12/20 1.00
▸ HDAC8 Q9BY41 12/20 0.84
▸ HDAC3 O15379 8/20 0.84
▸ HDAC2 Q92769 8/20 0.84
▸ HDAC6 Q9UBN7 8/20 0.84
▸ HDAC7 Q8WUI4 7/20 0.84
▸ HDAC10 Q969S8 7/20 0.84
▸ HDAC11 Q96DB2 7/20 0.84
▸ HDAC9 Q9UKV0 7/20 0.84
▸ HDAC5 Q9UQL6 7/20 0.84

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
SCHEMBL5020761 0.88 HDAC1 (0.79) HDAC1HDAC4HDAC8HDAC3HDAC2
SCHEMBL12808715 0.87 HDAC1 (1.00) HDAC1HDAC4HDAC8HDAC3HDAC2
SCHEMBL5020627 0.85 HDAC1 (1.00) HDAC1HDAC4HDAC8HDAC3HDAC2
SCHEMBL5049507 0.85 HDAC1 (1.00) HDAC1HDAC4HDAC8HDAC3HDAC2
SCHEMBL1403545 0.84 HDAC1 (1.00) HDAC1HDAC4HDAC8HDAC3HDAC2
SCHEMBL1403549 0.84 HDAC1 (1.00) HDAC1HDAC4HDAC8HDAC3HDAC2
SCHEMBL8242311 0.84 HDAC1 (1.00) HDAC1HDAC4HDAC8HDAC3HDAC2
SCHEMBL5020631 0.84 HDAC1 (1.00) HDAC1HDAC4HDAC8HDAC3HDAC2
SCHEMBL1403496 0.84 HDAC1 (0.78) HDAC1HDAC4HDAC8HDAC3HDAC2
SCHEMBL1403493 0.84 HDAC1 (0.78) HDAC1HDAC4HDAC8HDAC3HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8796330-B2 Inhibitors of histone deacetylase and prodrugs thereof METHYLGENE INC. (CA) 2014-08-05 — — US disclosed
US-8796330-B2 Inhibitors of histone deacetylase and prodrugs thereof METHYLGENE INC. (CA) 2014-08-05 — — US disclosed
US-20140024608-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF METHYLGENE INC. (CA) 2014-01-23 — — US disclosed
US-20140024608-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF METHYLGENE INC. (CA) 2014-01-23 — — US disclosed
WO-2008074132-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF METHYLGENE INC. (CA) 2008-06-26 — — WO disclosed
US-20080146623-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF METHYLGENE INC. (CA) 2008-06-19 — — US disclosed
US-RE39850-E1 Aryl amide, -sulfonamide, or -urea derivatives; antiproliferative, antitumor, anticarcinogenic, and/or antimetastasis agents METHYLGENE, INC. (CA) 2007-09-18 — — 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 (2 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-20080146623-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF HDAC1, HDAC3, HDAC11 HDAC1 1/4885HDAC4 6/4885HDAC8 9/4885
US-20140024608-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF HDAC1, HDAC3, HDAC11 HDAC1 1/4885HDAC4 6/4885HDAC8 9/4885

“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.

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