SCHEMBL16634913

SCHEMBL16634913

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

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNA1 Q09470 4/20 0.49
KCNAB1 Q14722 4/20 0.49
NAMPT P43490 2/20 0.48
TMPRSS2 O15393 6/20 0.47
PTPN2 P17706 1/20 0.46
PTPN1 P18031 1/20 0.46
PRMT5 O14744 1/20 0.43
ESR1 P03372 2/20 0.43
ESR2 Q92731 2/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
TP53 P04637 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL17969238 0.84 TMPRSS2 (0.44) KCNA1KCNAB1NAMPTTMPRSS2PTPN2
SCHEMBL6163822 0.84 KCNA1 (0.72) KCNA1KCNAB1TMPRSS2NPC1RAB9A
SCHEMBL16634693 0.83 NAMPT (0.62) KCNA1KCNAB1NAMPTTMPRSS2PTPN2
SCHEMBL4789781 0.82 ESR2 (0.66) KCNA1KCNAB1NAMPTPTPN1ESR1
SCHEMBL16634766 0.82 KDM4E (0.49) KCNA1KCNAB1NAMPTTMPRSS2PTPN2
SCHEMBL17969232 0.81 TMPRSS2 (0.44) KCNA1KCNAB1NAMPTTMPRSS2PTPN2
SCHEMBL10398383 0.81 PTPN1 (0.66) NAMPTTMPRSS2PTPN2PTPN1PRMT5
SCHEMBL14067246 0.80 NAMPT (0.55) KCNA1KCNAB1NAMPTPTPN2PTPN1
SCHEMBL17969245 0.80 TMPRSS2 (0.40) KCNA1KCNAB1NAMPTTMPRSS2PTPN2
SCHEMBL17969239 0.80 NAMPT (0.44) KCNA1KCNAB1NAMPTTMPRSS2PTPN2

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 KCNA1 4451/4885KCNAB1 3873/4885NAMPT 1/4885
US-20160229835-A1 NOVEL PYRIDYLOXYACETYL TETRAHYDROISOQUINOLINE COMPOUNDS USEFUL AS NAMPT INHIBITORS NAMPT, NAPRT, NNMT KCNA1 3819/4885KCNAB1 3743/4885NAMPT 1/4885

“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.