Sugi Predict

Sugi Predict / Compounds / SCHEMBL20101906

SCHEMBL20101906

SCHEMBL20101906

CC(C)[C@@H]1c2ccccc2SCc2cccc(F)c21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ GAA P10253 1/20 0.40
▸ POLB P06746 1/20 0.36
▸ HTR2A P28223 2/20 0.33
▸ DRD2 P14416 2/20 0.33
▸ DRD3 P35462 2/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ CHRM5 P08912 1/20 0.33
▸ ADRA2A P08913 1/20 0.33
▸ ADRA2B P18089 1/20 0.33
▸ ADRA2C P18825 1/20 0.33
▸ DRD1 P21728 1/20 0.33
▸ DRD4 P21917 1/20 0.33
▸ DRD5 P21918 1/20 0.33
▸ HRH2 P25021 1/20 0.33
▸ ADRA1D P25100 1/20 0.33

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
SCHEMBL22508374 1.00 ALDH1A1 (0.41) ALDH1A1MAPTHPGDALOX12TDP1
SCHEMBL10444595 1.00 ALDH1A1 (0.41) ALDH1A1MAPTHPGDALOX12TDP1
SCHEMBL22415119 0.84 NOTUM (0.33) HTR2ADRD2DRD3CHRNB2CHRNA4
SCHEMBL22508367 0.84 NOTUM (0.33) HTR2ADRD2DRD3CHRNB2CHRNA4
SCHEMBL20101877 0.84 NOTUM (0.33) HTR2ADRD2DRD3CHRNB2CHRNA4
SCHEMBL10444263 0.83 ALDH1A1 (0.41) ALDH1A1MAPTHPGDALOX12TDP1
SCHEMBL24489495 0.83 ALDH1A1 (0.31) ALDH1A1MAPTHPGDALOX12TDP1
SCHEMBL22508462 0.81 ALDH1A1 (0.43) ALDH1A1MAPTHPGDALOX12TDP1
SCHEMBL10446750 0.81 ALDH1A1 (0.43) ALDH1A1MAPTHPGDALOX12TDP1
SCHEMBL20108775 0.81 ALDH1A1 (0.43) ALDH1A1MAPTHPGDALOX12TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230287004-A1 SUBSTITUTED POLYCYCLIC PYRIDONE DERIVATIVES AND PRODRUGS THEREOF SHIONOGI & CO., LTD. (JP) 2023-09-14 — — US disclosed
US-20220177487-A1 FUSED POLYCYCLIC PYRIDONE COMPOUNDS AS INFLUENZA VIRUS REPLICATION INHIBITORS NIKANG THERAPEUTICS, INC. 2022-06-09 — — US disclosed
WO-2020205835-A1 FUSED POLYCYCLIC PYRIDONE COMPOUNDS AS INFLUENZA VIRUS REPLICATION INHIBITORS NIKANG THERAPEUTICS, INC. (US) 2020-10-08 — — WO disclosed
WO-2020205832-A1 FUSED POLYCYCLIC PYRIDONE COMPOUNDS AS INFLUENZA VIRUS REPLICATION INHIBITORS NIKANG THERAPEUTICS, INC. (US) 2020-10-08 — — WO disclosed
US-20180118760-A1 SUBSTITUTED POLYCYCLIC PYRIDONE DERIVATIVES AND PRODRUGS THEREOF SHIONOGI & CO., LTD. (JP) 2018-05-03 — — 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 (3 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-20230287004-A1 SUBSTITUTED POLYCYCLIC PYRIDONE DERIVATIVES AND PRODRUGS THEREOF C3AR1, NR4A1, HAVCR2 ALDH1A1 1319/4885MAPT 4872/4885HPGD 2908/4885
US-20220177487-A1 FUSED POLYCYCLIC PYRIDONE COMPOUNDS AS INFLUENZA VIRUS REPLICATION INHIBITORS PDXK, PNPO, CDKN1A ALDH1A1 2966/4885MAPT 3329/4885HPGD 810/4885
US-20180118760-A1 SUBSTITUTED POLYCYCLIC PYRIDONE DERIVATIVES AND PRODRUGS THEREOF C3AR1, NR4A1, HAVCR2 ALDH1A1 1319/4885MAPT 4872/4885HPGD 2908/4885

“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.