SCHEMBL4064536

SCHEMBL4064536

O=S(=O)(Nc1ccccc1)c1cccc(CO)c1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 7/20 0.68
PGR P06401 4/20 0.59
POLB P06746 1/20 0.59
IL1RN P18510 1/20 0.59
KEAP1 Q14145 1/20 0.59
ERAP1 Q9NZ08 1/20 0.59
IKBKB O14920 1/20 0.58
HDAC2 Q92769 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
ALDH1A1 P00352 2/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
PKM P14618 1/20 0.56
PTGES2 Q9H7Z7 1/20 0.53
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 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
SCHEMBL14425657 0.90 HTR6 (0.72) HTR6PGRPOLBIL1RNKEAP1
SCHEMBL1696862 0.84 HTR6 (0.68) HTR6PGRPOLBIL1RNKEAP1
SCHEMBL23306394 0.84 HTR6 (0.68) HTR6PGRPOLBIL1RNKEAP1
SCHEMBL8081768 0.82 KEAP1 (0.79) HTR6PGRPOLBIL1RNKEAP1
SCHEMBL2889311 0.82 IKBKB (0.67) HTR6POLBIKBKBHDAC2HDAC8
SCHEMBL28182427 0.82 HTR6 (0.62) HTR6PGRPOLBIL1RNKEAP1
SCHEMBL10453153 0.81 KMT2A (0.67) HTR6IL1RNKEAP1ERAP1IKBKB
SCHEMBL2822371 0.81 MEN1 (0.67) HTR6PGRIL1RNKEAP1ERAP1
SCHEMBL4061585 0.81 KEAP1 (0.69) POLBKEAP1HDAC2HDAC8HDAC6
SCHEMBL14015271 0.80 HTR6 (0.63) HTR6PGRPOLBIL1RNKEAP1

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-7557140-B2 Carbamic acid compounds comprising a sulfonamide linkage as HDAC inhibitors TOPOTARGET UK LIMITED (GB) 2009-07-07 US disclosed
EP-1317443-B1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC (CA) 2009-01-14 EP 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-20080090846-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS GENZYME CORPORATION 2008-04-17 US disclosed
US-20080090846-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS GENZYME CORPORATION 2008-04-17 US disclosed
US-20080090846-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS GENZYME CORPORATION 2008-04-17 US disclosed
US-7312234-B2 Chemokine receptor binding heterocyclic compounds ANORMED (CA) 2007-12-25 US disclosed
US-7312234-B2 Chemokine receptor binding heterocyclic compounds ANORMED (CA) 2007-12-25 US disclosed
US-7312234-B2 Chemokine receptor binding heterocyclic compounds ANORMED (CA) 2007-12-25 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-20050026942-A1 Chemokine receptor binding heterocyclic compounds ANORMED (CA) 2005-02-03 US disclosed
US-6835731-B2 Viricides; antiinflammatory agents; antiallergens; antiarthritic agents ANORMED, INC. (CA) 2004-12-28 US disclosed
EP-1317443-A2 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2003-06-11 EP disclosed
US-20020147192-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2002-10-10 US disclosed
WO-2002022599-A2 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2002-03-21 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-20020147192-A1 Chemokine receptor binding heterocyclic compounds CCR2, CXCR3, ACKR3 HTR6 637/4885PGR 812/4885POLB 1920/4885
US-20070004806-A1 Carbamic acid compounds comprising a sulfonamide linkage as HDAC inhibitors HDAC1, HDAC11, HDAC3 HTR6 3341/4885PGR 1115/4885POLB 3558/4885
US-20080161401-A1 CARBAMIC ACID COMPOUNDS COMPRISING A SULFONAMIDE LINKAGE AS HDAC INHIBITORS HDAC1, HDAC11, HDAC3 HTR6 3341/4885PGR 1115/4885POLB 3558/4885
US-20080090846-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS CCR2, CXCR3, ACKR3 HTR6 637/4885PGR 812/4885POLB 1920/4885
US-20050026942-A1 Chemokine receptor binding heterocyclic compounds CCR2, CXCR3, ACKR3 HTR6 637/4885PGR 812/4885POLB 1920/4885

“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.