SCHEMBL16333381

SCHEMBL16333381

CCN(CC)CC.CCOC(=O)OCOP(=O)(O)OCOC(=O)OCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
SOAT1 P35610 1/20 0.39
GAA P10253 2/20 0.33
MEN1 O00255 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
TRPA1 O75762 1/20 0.32
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP8 P22894 1/20 0.31
LMNA P02545 1/20 0.31
HSD17B10 Q99714 1/20 0.31
APOBEC3A P31941 1/20 0.30
APOBEC3G Q9HC16 1/20 0.30
ALOX15 P16050 1/20 0.30
MGAM O43451 1/20 0.30
SI P14410 1/20 0.30
MGAM2 Q2M2H8 1/20 0.30

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
SCHEMBL16368268 0.91 ALDH1A1 (0.56) ALDH1A1SOAT1GAACYP2C9CYP2C19
SCHEMBL16647537 0.87 ALDH1A1 (0.52) ALDH1A1SOAT1GAAMEN1CYP2C9
SCHEMBL3750750 0.83 ALDH1A1 (0.44) ALDH1A1SOAT1GAALMNAHSD17B10
SCHEMBL16333390 0.81 ALDH1A1 (0.38) ALDH1A1MEN1KMT2AMMP1MMP2
SCHEMBL15052830 0.81 FAP (0.35)
SCHEMBL30385181 0.79 ALDH1A1 (0.56) ALDH1A1SOAT1GAATRPA1LMNA
SCHEMBL16333596 0.79 FDPS (0.31) MMP1MMP2MMP3MMP8PPIP5K2
SCHEMBL15814253 0.77 BTN3A1 (0.46) ALDH1A1MMP1MMP2MMP3MMP8
SCHEMBL14283709 0.75 ALDH1A1 (0.56) ALDH1A1SOAT1GAATRPA1LMNA
SCHEMBL16368198 0.72 TSHR (0.36) ALDH1A1

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117379452-A Substituted nucleosides, nucleotides and analogues thereof 艾丽奥斯生物制药有限公司 2024-01-12 CN disclosed
EP-3160475-B1 SUBSTITUTED NUCLEOSIDES AND NUCLEOTIDES TO TREAT FILOVIRIDAE INFECTIONS JANSSEN PHARMACEUTICALS INC (US) 2024-01-03 EP disclosed
EP-3013340-B9 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF JANSSEN PHARMACEUTICALS INC (US) 2023-10-04 EP disclosed
EP-3013340-B1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF JANSSEN BIOPHARMA INC (US) 2023-06-07 EP disclosed
US-11590155-B2 Substituted nucleosides, nucleotides and analogs thereof JANSSEN PHARMACEUTICA NV (BE) 2023-02-28 US disclosed
US-20210106604-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen Pharmaceuticals, Inc. 2021-04-15 US disclosed
EP-3797782-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF FOR USE IN THE TREATMENT OF VIRAL INFECTIONS Janssen BioPharma, Inc. (US) 2021-03-31 EP disclosed
EP-3160476-B1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF FOR USE IN THE TREATMENT OF VIRAL INFECTION JANSSEN BIOPHARMA INC (US) 2020-09-30 EP disclosed
US-10780105-B2 Substituted nucleosides, nucleotides and analogs thereof Janssen Biopharma, Inc. (US) 2020-09-22 US disclosed
US-10370401-B2 Substituted nucleosides, nucleotides and analogs thereof Janssen Biopharma, Inc. (US) 2019-08-06 US disclosed
EP-3055319-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Alios Biopharma, Inc. (US) 2016-08-17 EP disclosed
EP-3013340-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Alios Biopharma, Inc. (US) 2016-05-04 EP disclosed
WO-2015200205-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF ALIOS BIOPHARMA, INC. (US) 2015-12-30 WO disclosed
WO-2015200219-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF ALIOS BIOPHARMA, INC. (US) 2015-12-30 WO disclosed
US-20150366887-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen Pharmaceuticals, Inc. 2015-12-24 US disclosed
US-20150366888-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen Pharmaceuticals, Inc. 2015-12-24 US disclosed
US-20150105341-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen Pharmaceuticals, Inc. 2015-04-16 US disclosed
WO-2015054465-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF ALIOS BIOPHARMA, INC. (US) 2015-04-16 WO disclosed
US-20150011497-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen Pharmaceuticals, Inc. 2015-01-08 US disclosed
WO-2014209979-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF ALIOS BIOPHARMA, INC. (US) 2014-12-31 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 (8 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-20150366888-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NT5C3B, TYMP ALDH1A1 2325/4885SOAT1 2668/4885GAA 535/4885
US-20150105341-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NT5C3B, NUDT1 ALDH1A1 2525/4885SOAT1 2794/4885GAA 606/4885
US-11590155-B2 Substituted nucleosides, nucleotides and analogs thereof PNP, NUDT1, NT5C3B ALDH1A1 2125/4885SOAT1 1986/4885GAA 577/4885
US-10370401-B2 Substituted nucleosides, nucleotides and analogs thereof PNP, NT5C3B, NUDT1 ALDH1A1 2525/4885SOAT1 2794/4885GAA 606/4885
US-20150366887-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NUDT1, NT5C3B ALDH1A1 2125/4885SOAT1 1986/4885GAA 577/4885
US-10780105-B2 Substituted nucleosides, nucleotides and analogs thereof PNP, NUDT1, NT5C3B ALDH1A1 2125/4885SOAT1 1986/4885GAA 577/4885
US-20150011497-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NUDT1, NT5C3B ALDH1A1 1153/4885SOAT1 1339/4885GAA 496/4885
US-20210106604-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NUDT1, NT5C3B ALDH1A1 2125/4885SOAT1 1986/4885GAA 577/4885

“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.