SCHEMBL20101959

SCHEMBL20101959

C=CCOC(=O)N1CCOCC1O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.33
CHRM1 P11229 1/20 0.33
TSHR P16473 1/20 0.33
ELANE P08246 1/20 0.32
CTSG P08311 1/20 0.32
CYP19A1 P11511 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
RAB9A P51151 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ERN1 O75460 1/20 0.31
FAAH O00519 1/20 0.31
MGLL Q99685 1/20 0.31
RECQL P46063 1/20 0.30
GPR119 Q8TDV5 1/20 0.30
PDK1 Q15118 2/20 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
SCHEMBL27305125 0.82 PDK1 (0.47) SIGMAR1CHRM1TSHRELANECTSG
SCHEMBL9382425 0.82 FKBP1A (0.39) SIGMAR1CHRM1TSHRELANECTSG
SCHEMBL9192532 0.82 PDK1 (0.47) SIGMAR1CHRM1TSHRELANECTSG
SCHEMBL28629931 0.82 PDK1 (0.47) SIGMAR1CHRM1TSHRELANECTSG
SCHEMBL20101960 0.81 CYP19A1 (0.36) SIGMAR1CHRM1TSHRELANECTSG
SCHEMBL9382048 0.81 CA12 (0.35) SIGMAR1CHRM1TSHRELANECTSG
SCHEMBL30278681 0.79 CYP19A1 (0.44) SIGMAR1CHRM1TSHRELANECTSG
SCHEMBL15322317 0.78 RAB9A (0.39) SIGMAR1CHRM1ELANECTSGCYP19A1
SCHEMBL9192823 0.77 SIGMAR1 (0.32) SIGMAR1TSHRELANECTSGCYP19A1
SCHEMBL9192830 0.77 SIGMAR1 (0.32) SIGMAR1TSHRELANECTSGCYP19A1

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
CN-109721615-B Inhibitors of influenza virus replication and uses thereof 广东东阳光药业有限公司 2020-12-29 CN disclosed
US-20200283454-A1 INFLUENZA VIRUS REPLICATION INHIBITOR AND USE THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2020-09-10 US disclosed
EP-3686201-A1 INFLUENZA VIRUS REPLICATION INHIBITOR AND USE THEREOF Sunshine Lake Pharma Co., Ltd. (CN) 2020-07-29 EP 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 SIGMAR1 35/4885CHRM1 73/4885TSHR 613/4885
US-20200283454-A1 INFLUENZA VIRUS REPLICATION INHIBITOR AND USE THEREOF RTF2, POLRMT, RTF1 SIGMAR1 3054/4885CHRM1 4562/4885TSHR 4020/4885
US-20180118760-A1 SUBSTITUTED POLYCYCLIC PYRIDONE DERIVATIVES AND PRODRUGS THEREOF C3AR1, NR4A1, HAVCR2 SIGMAR1 35/4885CHRM1 73/4885TSHR 613/4885

“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.