SCHEMBL2084095

SCHEMBL2084095

CS(=O)(=O)Nc1cccnc1C=O

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GLO1 Q04760 7/20 0.57
ALOX15 P16050 1/20 0.57
HTT P42858 1/20 0.57
CKS1B P61024 2/20 0.44
SKP2 Q13309 2/20 0.44
KEAP1 Q14145 2/20 0.43
NFE2L2 Q16236 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
PTGS1 P23219 4/20 0.40
PTGS2 P35354 3/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
TRPV1 Q8NER1 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.38

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
SCHEMBL4808577 0.79 GLO1 (0.60) GLO1ALOX15HTTCKS1BSKP2
SCHEMBL4074257 0.78 GLO1 (0.64) GLO1ALOX15HTTCKS1BSKP2
SCHEMBL27863537 0.77 GLO1 (0.62) GLO1ALOX15HTTCKS1BSKP2
SCHEMBL2307574 0.75 GLO1 (0.60) GLO1ALOX15HTTCKS1BSKP2
SCHEMBL20851459 0.74 GLO1 (0.58) GLO1ALOX15HTTCKS1BSKP2
SCHEMBL1234556 0.73 NFE2L2 (0.44) NFE2L2KDM4E
SCHEMBL25313098 0.72 MEN1 (0.55) HTTTRPV1ALDH1A1KMT2A
SCHEMBL22275780 0.72 GLO1 (0.57) GLO1ALOX15HTTCKS1BSKP2
SCHEMBL2465213 0.72 TRIM24 (0.46) GLO1ALOX15HTTCKS1BSKP2
SCHEMBL29757467 0.72 GLO1 (0.57) GLO1ALOX15HTTCKS1BSKP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1613613-B1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORP (US) 2021-06-02 EP disclosed
US-7863293-B2 CXCR4 chemokine receptor binding compounds GENZYME CORPORATION (US) 2011-01-04 US disclosed
EP-1317445-B1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC (CA) 2009-03-11 EP disclosed
US-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED CORPORATION (CA) 2008-10-16 US disclosed
US-7396840-B2 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION (US) 2008-07-08 US disclosed
US-7291631-B2 CXCR4 chemokine receptor binding compounds GENZYME CORPORATION (US) 2007-11-06 US disclosed
US-7084155-B2 Chemokine receptor binding heterocyclic compounds ANORMED (CA) 2006-08-01 US disclosed
US-20060128750-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2006-06-15 US disclosed
US-6864265-B2 Chemokine receptor binding heterocyclic compounds ANORMED, INC. (CA) 2005-03-08 US disclosed
US-20040220207-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2004-11-04 US disclosed
CN-1457339-A Chemokine receptor binding heterocyclic compounds ANORMED INC (CA) 2003-11-19 CN disclosed
EP-1317445-A2 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2003-06-11 EP disclosed
US-20030018046-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2003-01-23 US disclosed
WO-2002022600-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 (4 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-20040220207-A1 Chemokine receptor binding heterocyclic compounds CXCR3, ACKR3, CCR2 GLO1 4859/4885ALOX15 2514/4885HTT 4714/4885
US-20060128750-A1 Chemokine receptor binding heterocyclic compounds CXCR4, CCR5, CXCR3 GLO1 4880/4885ALOX15 3398/4885HTT 4706/4885
US-20030018046-A1 Chemokine receptor binding heterocyclic compounds CXCR3, ACKR3, CCR2 GLO1 4859/4885ALOX15 2514/4885HTT 4714/4885
US-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS CXCR4, CXCR1, CXCR3 GLO1 4855/4885ALOX15 1632/4885HTT 3742/4885

“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.