SCHEMBL4070835

SCHEMBL4070835

O=C(O)c1cccc(S(=O)(=O)NCc2ccccc2)c1

nearest known ligand 0.77

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 1/20 0.77
HDAC8 Q9BY41 1/20 0.77
HDAC6 Q9UBN7 1/20 0.77
HTT P42858 1/20 0.77
AKR1C3 P42330 4/20 0.74
LMNA P02545 4/20 0.68
RAB9A P51151 2/20 0.68
ALDH1A1 P00352 2/20 0.68
PKM P14618 1/20 0.68
MAPT P10636 1/20 0.68
HPGD P15428 1/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
CYP2C19 P33261 1/20 0.67
KEAP1 Q14145 1/20 0.65
POLB P06746 1/20 0.64
MEP1B Q16820 1/20 0.63

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
SCHEMBL1048486 0.91 AKR1C3 (0.66) HDAC2HDAC8HDAC6HTTAKR1C3
SCHEMBL14947453 0.88 HDAC2 (0.73) HDAC2HDAC8HDAC6HTTAKR1C3
SCHEMBL5032437 0.88 HDAC2 (0.73) HDAC2HDAC8HDAC6HTTAKR1C3
SCHEMBL5123459 0.88 AKR1C3 (0.77) HDAC2HDAC8HDAC6HTTAKR1C3
SCHEMBL14049658 0.85 AKR1C3 (0.59) HDAC2HDAC8HDAC6HTTAKR1C3
SCHEMBL5130325 0.84 AKR1C3 (0.79) HDAC2HDAC8HDAC6HTTAKR1C3
SCHEMBL3873636 0.83 CYP19A1 (0.59) HDAC2HDAC8HDAC6HTTAKR1C3
SCHEMBL5681701 0.83 HTT (0.87) HDAC2HDAC8HDAC6HTTLMNA
SCHEMBL996398 0.83 KEAP1 (0.71) HDAC2HDAC8HDAC6HTTLMNA
SCHEMBL13701747 0.83 HDAC2 (0.73) HDAC2HDAC8HDAC6HTTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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 (3 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-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.