SCHEMBL1001673

SCHEMBL1001673

N[C@@H](CC(=O)O)c1csc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.50
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KCNH2 Q12809 1/20 0.42
CYP2A6 P11509 3/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
MAPT P10636 2/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL6070452 1.00 ALOX5 (0.50) ALOX5CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL4251872 0.79 ALOX5 (0.54) ALOX5CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL10371256 0.77 ALOX5 (0.48) ALOX5CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL29478377 0.76 CYP2A6 (0.51) CYP2A6HDAC6POLBCMA1TAAR1
SCHEMBL29478399 0.76 CYP2A6 (0.51) CYP2A6HDAC6POLBCMA1TAAR1
SCHEMBL2030632 0.76 CYP2A6 (0.51) CYP2A6HDAC6POLBCMA1TAAR1
SCHEMBL2030630 0.76 CYP2A6 (0.51) CYP2A6HDAC6POLBCMA1TAAR1
SCHEMBL2032877 0.76 CYP2A6 (0.51) CYP2A6HDAC6POLBCMA1TAAR1
SCHEMBL8126573 0.76 ALOX5 (0.57) ALOX5CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL9764840 0.75 ALOX5 (0.60) ALOX5CYP1A2CYP2D6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013091903-A1 ANTI-CRAC CHANNEL ANTIBODIES NOVO NORDISK A/S (DK) 2013-06-27 WO disclosed
US-7868135-B2 Compositions of lipopeptide antibiotic derivatives and methods of use thereof BIOWEST THERAPEUTICS INC. (CA) 2011-01-11 US disclosed
EP-2147925-A1 Compositions of lipopeptide antibiotic derivatives and methods of use thereof MIGENIX INC. (CA) 2010-01-27 EP disclosed
US-20080171783-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE MIGENIX INC. (CA) 2008-07-17 US disclosed
WO-2008080223-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE MIGENIX INC. (CA) 2008-07-10 WO disclosed
EP-1910279-A2 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF MIGENIX INC. (CA) 2008-04-16 EP disclosed
US-20070021434-A1 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF MIGENIX INC. (CA) 2007-01-25 US disclosed
WO-2007002639-A2 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF MIGENIX INC. (CA) 2007-01-04 WO disclosed
EP-1656390-A2 COMPOSITIONS OF LIPOPEPTIDE ANTIBIOTIC DERIVATIVES AND METHODS OF USE THEREOF MIGENIX INC. (CA) 2006-05-17 EP disclosed
US-20050153876-A1 Compositions of lipopeptide antibiotic derivatives and methods of use thereof MIGENIX INC. (CA) 2005-07-14 US disclosed
WO-2005000878-A2 COMPOSITIONS OF LIPOPEPTIDE ANTIBIOTIC DERIVATIVES AND METHODS OF USE THEREOF MIGENIX INC. (CA) 2005-01-06 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-20070021434-A1 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF HAVCR2, ADAR, NSUN2 ALOX5 2621/4885CYP1A2 3094/4885CYP2D6 2435/4885
US-20050153876-A1 Compositions of lipopeptide antibiotic derivatives and methods of use thereof NRDC, NOD2, NGLY1 ALOX5 462/4885CYP1A2 4441/4885CYP2D6 3766/4885
US-20080171783-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE POLQ, POLI, POLH ALOX5 1606/4885CYP1A2 4344/4885CYP2D6 4546/4885

“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.