SCHEMBL22022411

SCHEMBL22022411

CO[C@@H]1O[C@H](COC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H]1NN

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ PTPN1 P18031 5/20 0.46
▸ ALDH1A1 P00352 1/20 0.42
▸ CA1 P00915 2/20 0.42
▸ CA2 P00918 2/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ PTPN2 P17706 1/20 0.41
▸ PTPN11 Q06124 1/20 0.41
▸ LMNA P02545 2/20 0.41
▸ F11 P03951 2/20 0.40
▸ TMPRSS2 O15393 1/20 0.40
▸ PDE5A O76074 1/20 0.40
▸ HMGCR P04035 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ LCK P06239 1/20 0.40
▸ FYN P06241 1/20 0.40
▸ HSPD1 P10809 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
SCHEMBL8587293 0.86 PTPN1 (0.57) USP2KMT2AMEN1POLBPTPN1
SCHEMBL10700645 0.86 PTPN1 (0.57) USP2KMT2AMEN1POLBPTPN1
SCHEMBL13146114 0.86 PTPN1 (0.57) USP2KMT2AMEN1POLBPTPN1
SCHEMBL5520745 0.86 PTPN1 (0.57) USP2KMT2AMEN1POLBPTPN1
SCHEMBL10582500 0.86 PTPN1 (0.57) USP2KMT2AMEN1POLBPTPN1
SCHEMBL22992331 0.86 PTPN1 (0.57) USP2KMT2AMEN1POLBPTPN1
SCHEMBL22984008 0.86 PTPN1 (0.57) USP2KMT2AMEN1POLBPTPN1
SCHEMBL22983992 0.86 PTPN1 (0.57) USP2KMT2AMEN1POLBPTPN1
SCHEMBL7151003 0.86 PTPN1 (0.57) USP2KMT2AMEN1POLBPTPN1
SCHEMBL8975481 0.86 PTPN1 (0.57) USP2KMT2AMEN1POLBPTPN1

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-20200157138-A1 NICOTINAMIDE ADENINE DINUCLEOTIDE ANALOGUES UNIVERSITY OF SOUTHERN CALIFORNIA 2020-05-21 — — 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-20200157138-A1 NICOTINAMIDE ADENINE DINUCLEOTIDE ANALOGUES NAMPT, NNT, NNMT USP2 4811/4885KMT2A 2184/4885MEN1 2452/4885

“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.

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