SCHEMBL17969232

SCHEMBL17969232

O=C(O)N1CCc2cc(NS(=O)(=O)CC3CC3)ccc2C1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TMPRSS2 O15393 7/20 0.44
NAMPT P43490 1/20 0.43
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
KCNA1 Q09470 3/20 0.41
KCNAB1 Q14722 3/20 0.41
CREBBP Q92793 1/20 0.39
HDAC6 Q9UBN7 2/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
MLNR O43193 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 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
SCHEMBL16645110 0.84 ESR2 (0.56) NAMPTPTPN1NPC1RAB9A
SCHEMBL16634913 0.81 KCNA1 (0.49) TMPRSS2NAMPTPTPN2PTPN1KCNA1
SCHEMBL16634693 0.81 NAMPT (0.62) TMPRSS2NAMPTPTPN2PTPN1KCNA1
SCHEMBL17969239 0.80 NAMPT (0.44) TMPRSS2NAMPTPTPN2PTPN1KCNA1
SCHEMBL16634766 0.80 KDM4E (0.49) TMPRSS2NAMPTPTPN2PTPN1KCNA1
SCHEMBL16634834 0.77 NAMPT (0.75) NAMPTPTPN2PTPN1MAPTHTT
SCHEMBL17969245 0.77 TMPRSS2 (0.40) TMPRSS2NAMPTPTPN2PTPN1KCNA1
SCHEMBL17969238 0.77 TMPRSS2 (0.44) TMPRSS2NAMPTPTPN2PTPN1KCNA1
SCHEMBL16634896 0.77 NAMPT (0.46) TMPRSS2NAMPTPTPN2PTPN1KCNA1
SCHEMBL16645178 0.75 NAMPT (0.63) NAMPTMLNR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160229835-A1 NOVEL PYRIDYLOXYACETYL TETRAHYDROISOQUINOLINE COMPOUNDS USEFUL AS NAMPT INHIBITORS ELI LILLY AND COMPANY 2016-08-11 US 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 (1 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-20160229835-A1 NOVEL PYRIDYLOXYACETYL TETRAHYDROISOQUINOLINE COMPOUNDS USEFUL AS NAMPT INHIBITORS NAMPT, NAPRT, NNMT TMPRSS2 1372/4885NAMPT 1/4885PTPN2 4436/4885

“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.