Sugi Predict

Sugi Predict / Compounds / SCHEMBL801156

SCHEMBL801156

SCHEMBL801156

CN[C@@H](CC(C)C)C(=O)OC(C)C

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.39
▸ FOLH1 Q04609 6/20 0.39
▸ NPR3 P17342 1/20 0.39
▸ BIRC2 Q13490 3/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ MMP2 P08253 1/20 0.37
▸ MMP9 P14780 1/20 0.37
▸ MMP8 P22894 1/20 0.37
▸ TAS1R3 Q7RTX0 1/20 0.36
▸ TAS1R1 Q7RTX1 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ MAPT P10636 1/20 0.35
▸ MME P08473 1/20 0.34
▸ POLB P06746 1/20 0.34

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
SCHEMBL800917 1.00 ALDH1A1 (0.39) ALDH1A1FOLH1NPR3BIRC2MEN1
SCHEMBL15074333 1.00 ALDH1A1 (0.39) ALDH1A1FOLH1NPR3BIRC2MEN1
Hydrochloric Acid SCHEMBL19949045 0.98 FOLH1 (0.39) ALDH1A1FOLH1NPR3BIRC2MEN1
Hydrochloric Acid SCHEMBL19949046 0.98 FOLH1 (0.39) ALDH1A1FOLH1NPR3BIRC2MEN1
SCHEMBL14609391 0.83 TAS1R3 (0.49) ALDH1A1FOLH1BIRC2TAS1R3TAS1R1
SCHEMBL7159426 0.83 TAS1R3 (0.49) ALDH1A1FOLH1BIRC2TAS1R3TAS1R1
SCHEMBL8297645 0.83 TAS1R3 (0.49) ALDH1A1FOLH1BIRC2TAS1R3TAS1R1
SCHEMBL23325402 0.82 ALDH1A1 (0.44) ALDH1A1FOLH1MEN1LMNAKMT2A
SCHEMBL24235913 0.82 NPR3 (0.34) FOLH1NPR3
SCHEMBL790021 0.82 NPR3 (0.41) ALDH1A1FOLH1NPR3BIRC2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3013340-B9 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF JANSSEN PHARMACEUTICALS INC (US) 2023-10-04 — — EP disclosed
WO-2023108286-A1 PYRIDOXAL-5-PHOSPHATE (P5P) ANALOGS CANAM BIORESEARCH INC. (CA) 2023-06-22 — — WO disclosed
EP-3013340-B1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF JANSSEN BIOPHARMA INC (US) 2023-06-07 — — EP disclosed
US-20210395288-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALAOGS THEREOF JANSSSEN BIOPHARMA, INC. (US) 2021-12-23 — — US disclosed
EP-3912984-A1 4'-FLUORO-NUCLEOSIDES, 4'-FLUORO-NUCLEOTIDES AND ANALOGS THEREOF FOR THE TREATMENT OF HCV Janssen BioPharma, Inc. (US) 2021-11-24 — — EP disclosed
EP-3865482-A1 7-SUBSTITUTED SULFONIMIDOYLPURINONE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF VIRUS INFECTION F. Hoffmann-La Roche AG (CH) 2021-08-18 — — EP 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-3504210-B1 7-SUBSTITUTED SULFONIMIDOYLPURINONE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF VIRUS INFECTION HOFFMANN LA ROCHE (CH) 2021-02-24 — — EP disclosed
EP-2935303-B1 4'-FLUORO-NUCLEOSIDES, 4'-FLUORO-NUCLEOTIDES AND ANALOGS THEREOF FOR THE TREATMENT OF HCV JANSSEN BIOPHARMA INC (US) 2021-02-17 — — EP disclosed
US-20200385387-A1 7-SUBSTITUTED SULFONIMIDOYLPURINONE COMPOUNDS FOR THE TREATMENT OF VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2020-12-10 — — US disclosed
US-20140065101-A1 2'-Branched Nucleosides for Treatment of Viral Infections NOVARTIS AG (CH) 2014-03-06 — — US disclosed
US-20130252920-A1 PHARMACEUTICAL COMBINATIONS COMPRISING A THIONUCLEOTIDE ANALOG VERTEX PHARMACEUTICALS INC. (US) 2013-09-26 — — US disclosed
US-20130164261-A1 SUBSTITUTED NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2013-06-27 — — US disclosed
US-20130165400-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF ALIOS BIOPHARMA, INC. (US) 2013-06-27 — — US disclosed
US-20120165286-A1 CYCLIC NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2012-06-28 — — US disclosed
US-20120070411-A1 SUBSTITUTED NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2012-03-22 — — US disclosed
US-20120071434-A1 SUBSTITUTED NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2012-03-22 — — US disclosed
EP-0188805-B1 1,3-DITHIOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1989-09-06 — — EP disclosed
US-4737494-A 2-YLIDENE AMMONIUM COMPOUNDS USED IN TREATING LIVER DISEASES BANYU PHARMACEUTICAL CO., LTD. (JP) 1988-04-12 — — US disclosed
EP-0188805-A1 1,3-Dithiole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1986-07-30 — — EP 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 (9 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-20200385387-A1 7-SUBSTITUTED SULFONIMIDOYLPURINONE COMPOUNDS FOR THE TREATMENT OF VIRUS INFECTION FURIN, UGT1A7, SARS1 ALDH1A1 229/4885FOLH1 1692/4885NPR3 2777/4885
US-20130165400-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NT5C3B, ADAR ALDH1A1 3576/4885FOLH1 2940/4885NPR3 1659/4885
US-20130164261-A1 SUBSTITUTED NUCLEOTIDE ANALOGS PNP, NUDT1, TYMP ALDH1A1 2567/4885FOLH1 895/4885NPR3 2947/4885
US-20120071434-A1 SUBSTITUTED NUCLEOTIDE ANALOGS PNP, NUDT1, TYMP ALDH1A1 2567/4885FOLH1 895/4885NPR3 2947/4885
US-20140065101-A1 2'-Branched Nucleosides for Treatment of Viral Infections EIF2AK2, WNK1, OXSR1 ALDH1A1 2135/4885FOLH1 3272/4885NPR3 3174/4885
US-20210395288-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALAOGS THEREOF PNP, RNGTT, NT5C3B ALDH1A1 650/4885FOLH1 409/4885NPR3 1135/4885
US-20120070411-A1 SUBSTITUTED NUCLEOTIDE ANALOGS PNP, NTPCR, NUDT1 ALDH1A1 2210/4885FOLH1 787/4885NPR3 2249/4885
US-20130252920-A1 PHARMACEUTICAL COMBINATIONS COMPRISING A THIONUCLEOTIDE ANALOG TYMP, POLN, POLRMT ALDH1A1 1869/4885FOLH1 413/4885NPR3 2220/4885
US-20120165286-A1 CYCLIC NUCLEOTIDE ANALOGS NT5C2, NTPCR, PNP ALDH1A1 2755/4885FOLH1 2286/4885NPR3 1079/4885

“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.