SCHEMBL4072202

SCHEMBL4072202

CN(Cc1ccc(CO)cc1)S(=O)(=O)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 1/20 0.63
ALDH1A1 P00352 6/20 0.59
LMNA P02545 2/20 0.59
CXCR4 P61073 2/20 0.56
NR1I2 O75469 1/20 0.55
KMT2A Q03164 5/20 0.54
MEN1 O00255 3/20 0.54
HTT P42858 3/20 0.54
ADRB2 P07550 1/20 0.54
MAPT P10636 1/20 0.54
NPSR1 Q6W5P4 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
HPGD P15428 2/20 0.49
TP53 P04637 1/20 0.48
TAS2R14 Q9NYV8 1/20 0.48
KDM4E B2RXH2 1/20 0.48

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
SCHEMBL407669 0.88 ALDH1A1 (0.73) NR1H3ALDH1A1LMNACXCR4KMT2A
SCHEMBL9302981 0.85 NR1H3 (0.61) NR1H3ALDH1A1LMNACXCR4KMT2A
SCHEMBL9305267 0.83 NR1H3 (0.59) NR1H3ALDH1A1LMNACXCR4KMT2A
SCHEMBL14285692 0.82 TAS2R14 (0.64) NR1H3ALDH1A1LMNACXCR4NPSR1
SCHEMBL4068031 0.81 NR1H3 (0.57) NR1H3ALDH1A1LMNACXCR4KMT2A
SCHEMBL25413815 0.80 NR1I2 (0.60) NR1H3LMNANR1I2KMT2AMEN1
SCHEMBL11174358 0.80 NAMPT (0.62) NR1H3ALDH1A1LMNACXCR4KMT2A
SCHEMBL10909120 0.80 ALDH1A1 (0.68) NR1H3ALDH1A1LMNACXCR4KMT2A
SCHEMBL5450808 0.80 ALDH1A1 (0.62) NR1H3ALDH1A1LMNACXCR4KMT2A
SCHEMBL9373823 0.79 ALDH1A1 (0.66) NR1H3ALDH1A1LMNACXCR4KMT2A

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 15 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
CN-1237061-C Chemokine receptor binding heterocyclic compounds ANORMED INC (CA) 2006-01-18 CN 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
CN-1458929-A Chemokine receptor binding heterocyclic compounds ANORMED INC (CA) 2003-11-26 CN 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 NR1H3 233/4885ALDH1A1 1950/4885LMNA 4848/4885
US-20080090846-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS CCR2, CXCR3, ACKR3 NR1H3 233/4885ALDH1A1 1950/4885LMNA 4848/4885
US-20050026942-A1 Chemokine receptor binding heterocyclic compounds CCR2, CXCR3, ACKR3 NR1H3 233/4885ALDH1A1 1950/4885LMNA 4848/4885

“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.