SCHEMBL16634896

SCHEMBL16634896

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

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 4/20 0.46
TMPRSS2 O15393 6/20 0.41
KCNA1 Q09470 3/20 0.40
KCNAB1 Q14722 3/20 0.40
KDM4E B2RXH2 1/20 0.40
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
NPSR1 Q6W5P4 1/20 0.38
S1PR1 P21453 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37

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
SCHEMBL16634766 0.88 KDM4E (0.49) NAMPTTMPRSS2KCNA1KCNAB1KDM4E
SCHEMBL16645145 0.87 ESR2 (0.53) NAMPTPTPN1ESR2
SCHEMBL29728647 0.87 ESR2 (0.53) NAMPTPTPN1ESR2
SCHEMBL16634693 0.81 NAMPT (0.62) NAMPTTMPRSS2KCNA1KCNAB1KDM4E
SCHEMBL16634818 0.80 NAMPT (0.76) NAMPTKDM4EPTPN2PTPN1
SCHEMBL17969239 0.80 NAMPT (0.44) NAMPTTMPRSS2KCNA1KCNAB1PTPN2
SCHEMBL16634913 0.79 KCNA1 (0.49) NAMPTTMPRSS2KCNA1KCNAB1PTPN2
SCHEMBL17969232 0.77 TMPRSS2 (0.44) NAMPTTMPRSS2KCNA1KCNAB1PTPN2
SCHEMBL16645224 0.76 ESR2 (0.56) NAMPTTMPRSS2KDM4EPTPN2PTPN1
SCHEMBL29728634 0.76 ESR2 (0.56) NAMPTTMPRSS2KDM4EPTPN2PTPN1

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 1/4885TMPRSS2 2012/4885KCNA1 4451/4885
US-20160229835-A1 NOVEL PYRIDYLOXYACETYL TETRAHYDROISOQUINOLINE COMPOUNDS USEFUL AS NAMPT INHIBITORS NAMPT, NAPRT, NNMT NAMPT 1/4885TMPRSS2 1372/4885KCNA1 3819/4885

“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.