SCHEMBL16634693

SCHEMBL16634693

CC(C)(O)CS(=O)(=O)Nc1ccc2c(c1)CCN(C(=O)O)C2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.62
KCNA1 Q09470 4/20 0.43
KCNAB1 Q14722 4/20 0.43
PTPN2 P17706 1/20 0.42
PTPN1 P18031 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
TMPRSS2 O15393 3/20 0.41
ESR2 Q92731 2/20 0.40
ESR1 P03372 1/20 0.40
CHEK1 O14757 6/20 0.40
FLT3 P36888 6/20 0.40
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
RECQL P46063 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KDM4E B2RXH2 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
SCHEMBL16645174 0.87 NAMPT (0.61) NAMPTKCNA1KCNAB1PTPN2PTPN1
SCHEMBL29728602 0.87 NAMPT (0.61) NAMPTKCNA1KCNAB1PTPN2PTPN1
SCHEMBL16634913 0.83 KCNA1 (0.49) NAMPTKCNA1KCNAB1PTPN2PTPN1
SCHEMBL17969239 0.81 NAMPT (0.44) NAMPTKCNA1KCNAB1PTPN2PTPN1
SCHEMBL16634766 0.81 KDM4E (0.49) NAMPTKCNA1KCNAB1PTPN2PTPN1
SCHEMBL16634896 0.81 NAMPT (0.46) NAMPTKCNA1KCNAB1PTPN2PTPN1
SCHEMBL17969232 0.81 TMPRSS2 (0.44) NAMPTKCNA1KCNAB1PTPN2PTPN1
SCHEMBL17969251 0.79 TMPRSS2 (0.53) NAMPTKCNA1KCNAB1HDAC8HDAC6
SCHEMBL16634738 0.78 NAMPT (1.00) NAMPTCHEK1FLT3
SCHEMBL29478194 0.78 NAMPT (1.00) NAMPTCHEK1FLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220125814-A1 CANCER COMBINATION THERAPIES UTILIZING A NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE INHIBITOR IN COMBINATION WITH A NICOTINAMIDE ADENINE DINUCLEOTIDE SALVAGE PATHWAY PRECURSOR FRED HUTCHINSON CANCER RESEARCH CENTER (US) 2022-04-28 US disclosed
WO-2020191359-A1 CANCER COMBINATION THERAPIES UTILIZING A NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE INHIBITOR IN COMBINATION WITH A NICOTINAMIDE ADENINE DINUCLEOTIDE SALVAGE PATHWAY PRECURSOR FRED HUTCHINSON CANCER RESEARCH CENTER (US) 2020-09-24 WO disclosed
EP-3055304-A1 NOVEL PYRIDYLOXYACETYL TETRAHYDROISOQUINOLINE COMPOUNDS USEFUL AS NAMPT INHIBITORS Eli Lilly and Company (US) 2016-08-17 EP disclosed
US-20160229835-A1 NOVEL PYRIDYLOXYACETYL TETRAHYDROISOQUINOLINE COMPOUNDS USEFUL AS NAMPT INHIBITORS ELI LILLY AND COMPANY 2016-08-11 US disclosed
WO-2015054060-A1 NOVEL PYRIDYLOXYACETYL TETRAHYDROISOQUINOLINE COMPOUNDS USEFUL AS NAMPT INHIBITORS ELI LILLY AND COMPANY (US) 2015-04-16 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 (2 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-20220125814-A1 CANCER COMBINATION THERAPIES UTILIZING A NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE INHIBITOR IN COMBINATION WITH A NICOTINAMIDE ADENINE DINUCLEOTIDE SALVAGE PATHWAY PRECURSOR NAMPT, NADK, NNT NAMPT 1/4885KCNA1 4451/4885KCNAB1 3873/4885
US-20160229835-A1 NOVEL PYRIDYLOXYACETYL TETRAHYDROISOQUINOLINE COMPOUNDS USEFUL AS NAMPT INHIBITORS NAMPT, NAPRT, NNMT NAMPT 1/4885KCNA1 3819/4885KCNAB1 3743/4885

“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.