SCHEMBL1403233

SCHEMBL1403233

O=S(=O)(Nc1ccccc1)c1cccc(C#CCO)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 5/20 0.52
POLB P06746 1/20 0.52
IL1RN P18510 1/20 0.51
KEAP1 Q14145 1/20 0.51
ERAP1 Q9NZ08 1/20 0.51
HTR6 P50406 4/20 0.50
HDAC8 Q9BY41 3/20 0.50
HDAC2 Q92769 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
THRB P10828 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
PKM P14618 2/20 0.49
ALDH1A1 P00352 1/20 0.49
CA12 O43570 2/20 0.46
CA9 Q16790 2/20 0.46
HDAC3 O15379 1/20 0.45
BRD4 O60885 1/20 0.45
ESR1 P03372 1/20 0.45

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
SCHEMBL2692996 0.92 MEN1 (0.58) PGRPOLBIL1RNKEAP1ERAP1
SCHEMBL1403078 0.84 KMT2A (0.57) IL1RNKEAP1ERAP1HDAC8HDAC2
SCHEMBL2693189 0.84 MEN1 (0.57) PGRIL1RNKEAP1ERAP1HTR6
SCHEMBL19868370 0.82 HDAC8 (0.47) PGRPOLBIL1RNKEAP1ERAP1
SCHEMBL17818383 0.81 PGR (0.59) PGRPOLBIL1RNKEAP1ERAP1
SCHEMBL1403178 0.79 HDAC8 (0.56) PGRPOLBIL1RNKEAP1ERAP1
SCHEMBL19334523 0.78 PGR (0.77) PGRPOLBIL1RNKEAP1ERAP1
SCHEMBL1403010 0.77 HDAC8 (0.71) PGRPOLBIL1RNKEAP1ERAP1
SCHEMBL1403007 0.77 HDAC8 (0.71) PGRPOLBIL1RNKEAP1ERAP1
SCHEMBL8252353 0.77 HDAC1 (0.65) PGRPOLBHDAC8HDAC2HDAC6

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 18 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
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-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-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-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-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-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 PGR 1115/4885POLB 3558/4885IL1RN 827/4885
US-20070004806-A1 Carbamic acid compounds comprising a sulfonamide linkage as HDAC inhibitors HDAC1, HDAC11, HDAC3 PGR 1115/4885POLB 3558/4885IL1RN 827/4885
US-20080161401-A1 CARBAMIC ACID COMPOUNDS COMPRISING A SULFONAMIDE LINKAGE AS HDAC INHIBITORS HDAC1, HDAC11, HDAC3 PGR 1115/4885POLB 3558/4885IL1RN 827/4885
US-20040077726-A1 Carbamic acid compounds comprising a sulfonamide linkage as hdac inhibitors HDAC1, HDAC11, HDAC2 PGR 1166/4885POLB 3300/4885IL1RN 806/4885
US-20050085515-A1 Carbamic acid compounds comprising a sulfonamide linkage as HDAC inhibitors HDAC1, HDAC11, HDAC3 PGR 1115/4885POLB 3558/4885IL1RN 827/4885

“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.