SCHEMBL1287621

SCHEMBL1287621

O=C(C=Cc1ccc(S(=O)(=O)Nc2ccccc2)cc1)NO

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 20/20 1.00
HDAC4 P56524 13/20 1.00
HDAC8 Q9BY41 13/20 1.00
HDAC3 O15379 11/20 1.00
HDAC6 Q9UBN7 11/20 1.00
HDAC7 Q8WUI4 10/20 1.00
HDAC2 Q92769 10/20 1.00
HDAC10 Q969S8 10/20 1.00
HDAC11 Q96DB2 10/20 1.00
HDAC9 Q9UKV0 10/20 1.00
HDAC5 Q9UQL6 10/20 1.00
BRD4 O60885 1/20 0.76
ESR1 P03372 1/20 0.76
PTGS1 P23219 1/20 0.76
PDE4A P27815 1/20 0.76
PIK3CA P42336 1/20 0.76
HTR6 P50406 1/20 0.76
PDE4D Q08499 1/20 0.76
ASPH Q12797 1/20 0.76

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
SCHEMBL1287618 1.00 HDAC1 (1.00) HDAC1HDAC4HDAC8HDAC3HDAC6
SCHEMBL1403256 0.94 HDAC1 (1.00) HDAC1HDAC4HDAC8HDAC3HDAC6
SCHEMBL1403258 0.94 HDAC1 (1.00) HDAC1HDAC4HDAC8HDAC3HDAC6
SCHEMBL1403505 0.92 HDAC1 (1.00) HDAC1HDAC4HDAC8HDAC3HDAC6
SCHEMBL1403504 0.92 HDAC1 (1.00) HDAC1HDAC4HDAC8HDAC3HDAC6
SCHEMBL1403353 0.92 HDAC1 (1.00) HDAC1HDAC4HDAC8HDAC3HDAC6
SCHEMBL1403352 0.92 HDAC1 (1.00) HDAC1HDAC4HDAC8HDAC3HDAC6
SCHEMBL1403084 0.88 HDAC1 (0.78) HDAC1HDAC4HDAC8HDAC3HDAC6
SCHEMBL1403082 0.88 HDAC1 (0.78) HDAC1HDAC4HDAC8HDAC3HDAC6
SCHEMBL1403493 0.87 HDAC1 (0.78) HDAC1HDAC4HDAC8HDAC3HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8293513-B2 Histone deacetylase inhibitors GEORGETOWN UNIVERSITY (US) 2012-10-23 US disclosed
WO-2012047852-A2 COMPOSITIONS AND METHODS FOR MODULATING IMMUNODEFICIENCY VIRUS TRANSCRIPTION THE J. DAVID GLADSTONE INSTITUTES (US) 2012-04-12 WO disclosed
EP-2292593-A2 Carbamic acid compounds comprising a sulfonamide linkage as HDAC inhibitors TopoTarget UK Limited (GB) 2011-03-09 EP disclosed
US-20100317739-A1 HISTONE DEACETYLASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-12-16 US disclosed
EP-2231596-A1 HISTONE DEACETYLASE INHIBITORS Georgetown University (US) 2010-09-29 EP disclosed
US-7557140-B2 Carbamic acid compounds comprising a sulfonamide linkage as HDAC inhibitors TOPOTARGET UK LIMITED (GB) 2009-07-07 US disclosed
WO-2009079375-A1 HISTONE DEACETYLASE INHIBITORS GEORGETOWN UNIVERSITY (US) 2009-06-25 WO disclosed
US-7407988-B2 Carbamic acid compounds comprising a sulfonamide linkage as HDAC inhibitors TOPOTARGET UK LIMITED (GB) 2008-08-05 US disclosed
US-20080161401-A1 CARBAMIC ACID COMPOUNDS COMPRISING A SULFONAMIDE LINKAGE AS HDAC INHIBITORS TOPOTARGET UK LIMITED (GB) 2008-07-03 US disclosed
US-7183298-B2 Carbamic acid compounds comprising a sulfonamide linkage as HDAC inhibitors TOPOTARGET UK LIMITED (GB) 2007-02-27 US disclosed
US-20070004806-A1 Carbamic acid compounds comprising a sulfonamide linkage as HDAC inhibitors TOPOTARGET UK LIMITED (GB) 2007-01-04 US disclosed
US-20050107445-A1 Carbamic acid compounds comprising a sulfonamide linkage as HDAC inhibitors PROLIFIX LIMITED (GB) 2005-05-19 US disclosed
US-6888027-B2 Carbamic acid compounds comprising a sulfonamide linkage as HDAC inhibitors TOPOTARGET UK LIMITED (GB) 2005-05-03 US disclosed
US-20050085515-A1 Carbamic acid compounds comprising a sulfonamide linkage as HDAC inhibitors TOPO TARGET UK LIMITED, (GB) 2005-04-21 US disclosed
US-20040077726-A1 Carbamic acid compounds comprising a sulfonamide linkage as hdac inhibitors SWK FUNDING LLC 2004-04-22 US disclosed
EP-1328510-A2 CARBAMIC ACID COMPOUNDS COMPRISING A SULFONAMIDE LINKAGE AS HDAC INHIBITORS PROLIFIX LTD. (GB) 2003-07-23 EP disclosed
WO-2002030879-A2 CARBAMIC ACID COMPOUNDS COMPRISING A SULFONAMIDE LINKAGE AS HDAC INHIBITORS PROLIFIX LIMITED (GB) 2002-04-18 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-20050107445-A1 Carbamic acid compounds comprising a sulfonamide linkage as HDAC inhibitors HDAC1, HDAC11, HDAC3 HDAC1 1/4885HDAC4 8/4885HDAC8 4/4885
US-20070004806-A1 Carbamic acid compounds comprising a sulfonamide linkage as HDAC inhibitors HDAC1, HDAC11, HDAC3 HDAC1 1/4885HDAC4 8/4885HDAC8 4/4885
US-20080161401-A1 CARBAMIC ACID COMPOUNDS COMPRISING A SULFONAMIDE LINKAGE AS HDAC INHIBITORS HDAC1, HDAC11, HDAC3 HDAC1 1/4885HDAC4 8/4885HDAC8 4/4885
US-20100317739-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC5, HDAC2 HDAC1 1/4885HDAC4 8/4885HDAC8 7/4885
US-20040077726-A1 Carbamic acid compounds comprising a sulfonamide linkage as hdac inhibitors HDAC1, HDAC11, HDAC2 HDAC1 1/4885HDAC4 8/4885HDAC8 4/4885
US-20050085515-A1 Carbamic acid compounds comprising a sulfonamide linkage as HDAC inhibitors HDAC1, HDAC11, HDAC3 HDAC1 1/4885HDAC4 8/4885HDAC8 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.