Sugi Predict

Sugi Predict / Compounds / SCHEMBL4063073

SCHEMBL4063073

SCHEMBL4063073

O=Cc1cccc(S(=O)(=O)Nc2ccccc2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC2 Q92769 4/20 0.62
▸ HDAC8 Q9BY41 4/20 0.62
▸ HDAC6 Q9UBN7 4/20 0.62
▸ HTR6 P50406 4/20 0.62
▸ HDAC3 O15379 3/20 0.62
▸ HDAC4 P56524 3/20 0.62
▸ HDAC1 Q13547 3/20 0.62
▸ HDAC7 Q8WUI4 3/20 0.62
▸ HDAC10 Q969S8 3/20 0.62
▸ HDAC11 Q96DB2 3/20 0.62
▸ HDAC9 Q9UKV0 3/20 0.62
▸ HDAC5 Q9UQL6 3/20 0.62
▸ BRD4 O60885 1/20 0.62
▸ ESR1 P03372 1/20 0.62
▸ PTGS1 P23219 1/20 0.62
▸ PDE4A P27815 1/20 0.62
▸ PIK3CA P42336 1/20 0.62
▸ PDE4D Q08499 1/20 0.62
▸ ASPH Q12797 1/20 0.62
▸ KEAP1 Q14145 2/20 0.61

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
SCHEMBL1596839 0.90 HDAC3 (0.62) HDAC2HDAC8HDAC6HTR6HDAC3
SCHEMBL15652924 0.86 HDAC1 (0.64) HDAC2HDAC8HDAC6HDAC3HDAC4
SCHEMBL29571412 0.86 PGR (0.51) HDAC2HDAC8HDAC6HTR6HDAC3
SCHEMBL1920369 0.86 HDAC3 (0.64) HDAC2HDAC8HDAC6HDAC3HDAC4
SCHEMBL28380387 0.86 PGR (0.51) HDAC2HDAC8HDAC6HTR6HDAC3
SCHEMBL15652958 0.85 KMT2A (0.60) HDAC2HDAC8HDAC6HTR6HDAC3
SCHEMBL19806223 0.84 HDAC2 (0.64) HDAC2HDAC8HDAC6HTR6HDAC3
SCHEMBL8081768 0.84 KEAP1 (0.79) HDAC2HDAC8HDAC6HTR6KEAP1
SCHEMBL10072402 0.83 HDAC2 (0.65) HDAC2HDAC8HDAC6HTR6HDAC3
SCHEMBL2309454 0.81 HDAC3 (0.65) HDAC2HDAC8HDAC6HTR6HDAC3

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9637491-B2 Pyrazolo[4,3-D]pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-05-02 — — US disclosed
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-24 — — US disclosed
WO-2014060112-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2014-04-24 — — WO disclosed
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
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-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 (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-20020147192-A1 Chemokine receptor binding heterocyclic compounds CCR2, CXCR3, ACKR3 HDAC2 2688/4885HDAC8 1707/4885HDAC6 1162/4885
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS LRRK2, MYLK2, MYLK HDAC2 2094/4885HDAC8 4222/4885HDAC6 2334/4885
US-20070004806-A1 Carbamic acid compounds comprising a sulfonamide linkage as HDAC inhibitors HDAC1, HDAC11, HDAC3 HDAC2 5/4885HDAC8 4/4885HDAC6 10/4885
US-20080161401-A1 CARBAMIC ACID COMPOUNDS COMPRISING A SULFONAMIDE LINKAGE AS HDAC INHIBITORS HDAC1, HDAC11, HDAC3 HDAC2 5/4885HDAC8 4/4885HDAC6 10/4885
US-20080090846-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS CCR2, CXCR3, ACKR3 HDAC2 2688/4885HDAC8 1707/4885HDAC6 1162/4885
US-20050026942-A1 Chemokine receptor binding heterocyclic compounds CCR2, CXCR3, ACKR3 HDAC2 2688/4885HDAC8 1707/4885HDAC6 1162/4885

“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.