Sugi Predict

Sugi Predict / Compounds / SCHEMBL6981519

SCHEMBL6981519

SCHEMBL6981519

CC(=O)OC[C@@H]1CC[C@H](OC(C)=O)O1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.40
▸ CYP3A4 P08684 3/20 0.38
▸ CYP2D6 P10635 2/20 0.38
▸ THRB P10828 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ HSD17B10 Q99714 2/20 0.37
▸ PDK1 Q15118 1/20 0.37
▸ NR3C1 P04150 1/20 0.36
▸ FYN P06241 1/20 0.36
▸ ADRA2A P08913 1/20 0.36
▸ ADORA3 P0DMS8 1/20 0.36
▸ ADRA2B P18089 1/20 0.36
▸ DRD4 P21917 1/20 0.36
▸ DRD3 P35462 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ CA12 O43570 6/20 0.35
▸ CA1 P00915 6/20 0.35
▸ CA2 P00918 6/20 0.35
▸ CA9 Q16790 6/20 0.35

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
SCHEMBL19060085 1.00 TSHR (0.40) TSHRCYP3A4CYP2D6THRBCYP2C19
SCHEMBL24632392 1.00 TSHR (0.40) TSHRCYP3A4CYP2D6THRBCYP2C19
SCHEMBL27413998 1.00 TSHR (0.40) TSHRCYP3A4CYP2D6THRBCYP2C19
SCHEMBL9911316 1.00 TSHR (0.40) TSHRCYP3A4CYP2D6THRBCYP2C19
SCHEMBL29014344 0.90 TSHR (0.38) TSHRCYP3A4CYP2D6THRBCYP2C19
SCHEMBL14277080 0.86 TSHR (0.40) TSHRCYP3A4CYP2D6THRBCYP2C19
SCHEMBL6935885 0.86 PDK1 (0.37) TSHRCYP3A4CYP2D6THRBCYP2C19
SCHEMBL20776380 0.82 PDK1 (0.34) CYP3A4CYP2D6THRBCYP2C19CYP2C9
SCHEMBL21728835 0.82 PDK1 (0.34) CYP3A4CYP2D6THRBCYP2C19CYP2C9
SCHEMBL17831609 0.81 TSHR (0.42) TSHRCYP2D6MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024076873-A1 HETEROCYCLIC INHIBITORS OF CD73 FOR TREATMENT OF DISEASE TEON THERAPEUTICS, INC. (US) 2024-04-11 — — WO disclosed
WO-2024076872-A1 HETEROCYCLIC INHIBITORS OF CD73 FOR TREATMENT OF DISEASE TEON THERAPEUTICS, INC. (US) 2024-04-11 — — WO disclosed
WO-2024059609-A1 PHARMACEUTICAL FORMS OF A CD73 INHIBITOR ORIC PHARMACEUTICALS, INC. (US) 2024-03-21 — — WO disclosed
WO-2024049929-A2 PANNEXIN-1 MODULATORS AND METHODS OF TREATING DISORDERS IN WHICH PANNEXIN-1 IS IMPLICATED PANNEX THERAPEUTICS INC. (US) 2024-03-07 — — WO disclosed
WO-2023147161-A2 NICOTINATE AND NICOTINAMIDE RIBOSIDE-BASED COMPOUNDS AND DERIVATIVES THEREOF New Frontier Bio, Inc. (US) 2023-08-03 — — WO disclosed
WO-2023012182-A1 NICOTINAMIDE MONONUCLEOTIDE DERIVATIVES FOR USE IN THE TREATMENT OF SAPHO SYNDROME NUVAMID SA (CH) 2023-02-09 — — WO disclosed
WO-2022237747-A1 SMALL MOLECULAR CD73 ANTAGONIST AND USE THEREOF 四川海思科制药有限公司 2022-11-17 — — WO disclosed
WO-2022223613-A1 NMN AND DERIVATIVES FOR ITS USE IN THE TREATMENT OF DEPRESSION AND/OR ANXIETY IN PATIENTS HAVING A FORM OF PARKINSONISM NUVAMID SA (CH) 2022-10-27 — — WO disclosed
EP-4079311-A1 NMN AND DERIVATIVES FOR ITS USE IN THE TREATMENT OF DEPRESSION AND/OR ANXIETY IN PATIENTS HAVING A FORM OF PARKINSONISM Nuvamid SA (CH) 2022-10-26 — — EP disclosed
WO-2022184685-A1 NICOTINAMIDE MONONUCLEOTIDE DERIVATIVES AND USE THEREOF FOR THE TREATMENT AND/OR PREVENTION OF LONG COVID-19 NUVAMID SA (CH) 2022-09-09 — — WO disclosed
WO-2022143740-A1 ADENOSINE A3 RECEPTOR AGONIST, PREPARATION METHOD THEREFOR, AND USE THEREOF 浙江春禾医药科技有限公司 2022-07-07 — — WO disclosed
WO-2021257643-A1 CRYSTALLINE FORMS OF A CD73 INHIBITOR AND USES THEREOF ARCUS BIOSCIENCES, INC. (US) 2021-12-23 — — WO disclosed
WO-2021214299-A1 NICOTINAMIDE MONONUCLEOTIDE AND NICOTINAMIDE RIBOSIDE DERIVATIVES AND USE THEREOF IN THE TREATMENT OF VIRAL INFECTIONS AND RESPIRATORY COMPLICATIONS, IN PARTICULAR CAUSED BY INFLUENZAVIRUS OR CORONAVIRUS NUVAMID SA (CH) 2021-10-28 — — WO disclosed
WO-2021110148-A1 SIRNA CONJUGATE, DOUBLE-STRANDED SIRNA CONJUGATE, SALT THEREOF AND APPLICATION THEREOF 南京明德新药研发有限公司 2021-06-10 — — WO disclosed
WO-2021105461-A1 USE OF COMPOUNDS FOR THE PREVENTION AND/OR TREATMENT OF ANKYLOSING SPONDYLITIS, AND CORRESPONDING COMPOSITIONS NUVAMID SA (CH) 2021-06-03 — — WO disclosed
WO-2020247546-A1 ADENOSINE ANALOGS FOR THE TREATMENT OF DISEASE BIOINTERVENE, INC. (US) 2020-12-10 — — WO disclosed
WO-2020047082-A1 CD73 INHIBITORS AND THERAPEUTIC USES THEREOF Eternity Bioscience Inc. (US) 2020-03-05 — — WO disclosed
US-20120121541-A1 3,5-DISUBSTITUTED AND 3,5,7-TRISUBSTITUTED-3H-OXAZOLO AND 3H-THIAZOLO[4,5-D]PYRIMIDIN-2-ONE COMPOUNDS AND PRODRUGS THEREOF ANADYS PHARMACEUTICALS, INC. (US) 2012-05-17 — — US disclosed
US-20100087637-A1 Synthesis of Decitabine SCINOPHARM TAIWAN LTD. 2010-04-08 — — US disclosed
US-7560544-B2 Immunomodulators; hepatitis C virus; 5-amino-3-(O-D-ribofuranosylthiazolo[4,5-d]pyrimidine-2,7(3H,6H) dione (7-thia-8-oxoguanosine) ANADYS PHARMACEUTICALS, INC. (US) 2009-07-14 — — 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 (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-20100087637-A1 Synthesis of Decitabine DCTD, DUT, DPYD TSHR 4043/4885CYP3A4 651/4885CYP2D6 470/4885
US-20120121541-A1 3,5-DISUBSTITUTED AND 3,5,7-TRISUBSTITUTED-3H-OXAZOLO AND 3H-THIAZOLO[4,5-D]PYRIMIDIN-2-ONE COMPOUNDS AND PRODRUGS THEREOF TLR5, THPO, IDO1 TSHR 2594/4885CYP3A4 181/4885CYP2D6 123/4885

“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.