SCHEMBL1403010

SCHEMBL1403010

O=C(O)C=CC#Cc1cccc(S(=O)(=O)Nc2ccccc2)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 7/20 0.71
MEN1 O00255 2/20 0.71
KMT2A Q03164 2/20 0.71
THRB P10828 1/20 0.71
TDP1 Q9NUW8 1/20 0.71
HDAC1 Q13547 7/20 0.62
HDAC2 Q92769 6/20 0.61
HDAC6 Q9UBN7 6/20 0.61
HDAC3 O15379 5/20 0.61
HDAC4 P56524 5/20 0.61
HDAC7 Q8WUI4 5/20 0.61
HDAC10 Q969S8 5/20 0.61
HDAC11 Q96DB2 5/20 0.61
HDAC9 Q9UKV0 5/20 0.61
HDAC5 Q9UQL6 5/20 0.61
BRD4 O60885 2/20 0.51
HTR6 P50406 2/20 0.51
ESR1 P03372 1/20 0.51
PTGS1 P23219 1/20 0.51
PDE4A P27815 1/20 0.51

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
SCHEMBL1403007 1.00 HDAC8 (0.71) HDAC8MEN1KMT2ATHRBTDP1
SCHEMBL5020581 0.92 HDAC8 (0.82) HDAC8MEN1KMT2ATHRBTDP1
SCHEMBL1403174 0.90 HDAC8 (0.65) HDAC8MEN1KMT2ATHRBTDP1
SCHEMBL1403179 0.90 HDAC8 (0.65) HDAC8MEN1KMT2ATHRBTDP1
SCHEMBL1403503 0.90 HDAC8 (0.87) HDAC8MEN1KMT2ATHRBTDP1
SCHEMBL1403501 0.90 HDAC8 (0.87) HDAC8MEN1KMT2ATHRBTDP1
SCHEMBL1403102 0.85 HDAC1 (0.73) HDAC8MEN1KMT2ATHRBTDP1
SCHEMBL1403101 0.85 HDAC1 (0.73) HDAC8MEN1KMT2ATHRBTDP1
SCHEMBL5020585 0.85 HDAC1 (0.81) HDAC8MEN1KMT2ATHRBTDP1
SCHEMBL1403178 0.84 HDAC8 (0.56) HDAC8MEN1KMT2ATHRBTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2292593-A2 Carbamic acid compounds comprising a sulfonamide linkage as HDAC inhibitors TopoTarget UK Limited (GB) 2011-03-09 EP disclosed
US-7557140-B2 Carbamic acid compounds comprising a sulfonamide linkage as HDAC inhibitors TOPOTARGET UK LIMITED (GB) 2009-07-07 US 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 (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-20050107445-A1 Carbamic acid compounds comprising a sulfonamide linkage as HDAC inhibitors HDAC1, HDAC11, HDAC3 HDAC8 4/4885MEN1 4252/4885KMT2A 56/4885
US-20070004806-A1 Carbamic acid compounds comprising a sulfonamide linkage as HDAC inhibitors HDAC1, HDAC11, HDAC3 HDAC8 4/4885MEN1 4252/4885KMT2A 56/4885
US-20080161401-A1 CARBAMIC ACID COMPOUNDS COMPRISING A SULFONAMIDE LINKAGE AS HDAC INHIBITORS HDAC1, HDAC11, HDAC3 HDAC8 4/4885MEN1 4252/4885KMT2A 56/4885
US-20040077726-A1 Carbamic acid compounds comprising a sulfonamide linkage as hdac inhibitors HDAC1, HDAC11, HDAC2 HDAC8 4/4885MEN1 4277/4885KMT2A 43/4885
US-20050085515-A1 Carbamic acid compounds comprising a sulfonamide linkage as HDAC inhibitors HDAC1, HDAC11, HDAC3 HDAC8 4/4885MEN1 4252/4885KMT2A 56/4885

“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.