SCHEMBL2601428

SCHEMBL2601428

O=C(O)c1cccc2c1CSc1ccccc1C2=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
LMNA P02545 2/20 0.45
MAPT P10636 2/20 0.45
NOTUM Q6P988 1/20 0.43
MIF P14174 1/20 0.43
AKR1B1 P15121 1/20 0.42
MAOB P27338 1/20 0.40
LIG1 P18858 1/20 0.40
FTO Q9C0B1 1/20 0.39
HNF4A P41235 1/20 0.39
ALOX15 P16050 2/20 0.38
MYC P01106 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
POLB P06746 1/20 0.38
THRB P10828 1/20 0.38
MAPK1 P28482 1/20 0.38
RECQL P46063 1/20 0.38

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
SCHEMBL2601427 0.83 KEAP1 (0.54) ALDH1A1MAPTMIFAKR1B1MAOB
SCHEMBL22261555 0.80 MIF (0.42) NOTUMMIFAKR1B1MAOBALOX15
SCHEMBL28167995 0.79 ACHE (0.44) ALDH1A1L3MBTL1LMNAMAPTLIG1
SCHEMBL12998131 0.76 MIF (0.42) MAPTMIFAKR1B1MAOBALOX15
SCHEMBL21183649 0.76 MIF (0.42) ALDH1A1MIFAKR1B1MAOBALOX15
SCHEMBL18796296 0.76 MAOB (0.49) MAPTMIFAKR1B1MAOBALOX15
SCHEMBL10446873 0.76 MIF (0.42) NOTUMMIFAKR1B1MAOBALOX15
SCHEMBL2601487 0.76 MIF (0.42) NOTUMMIFAKR1B1MAOBALOX15
SCHEMBL10446552 0.74 MIF (0.43) ALDH1A1LMNAMAPTNOTUMMIF
SCHEMBL2601430 0.74 PIM1 (0.44) MAPTNOTUMMIFAKR1B1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200339565-A1 PRODRUG SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2020-10-29 US disclosed
US-10202379-B2 Substituted polycyclic carbamoyl pyridone derivative prodrug SHIONOGI & CO., LTD. (JP) 2019-02-12 US disclosed
EP-2620436-B1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG SHIONOGI & CO (JP) 2018-05-09 EP disclosed
EP-2444400-B1 SUBSTITUTED POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE SHIONOGI & CO (JP) 2018-03-28 EP disclosed
US-20170349587-A1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG SHIONOGI & CO., LTD. (JP) 2017-12-07 US disclosed
US-20170349587-A1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG SHIONOGI & CO., LTD. (JP) 2017-12-07 US disclosed
US-9815835-B2 Substituted polycyclic carbamolypyridone derivative SHIONOGI & CO., LTD. (JP) 2017-11-14 US disclosed
US-9815835-B2 Substituted polycyclic carbamolypyridone derivative SHIONOGI & CO., LTD. (JP) 2017-11-14 US disclosed
US-9758515-B2 Substituted polycyclic carbamoyl pyridone derivative prodrug SHIONOGI & CO., LTD. (JP) 2017-09-12 US disclosed
US-9758515-B2 Substituted polycyclic carbamoyl pyridone derivative prodrug SHIONOGI & CO., LTD. (JP) 2017-09-12 US disclosed
US-20150111854-A1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG SHIONOGI & CO (JP) 2015-04-23 US disclosed
US-8987441-B2 Substituted polycyclic carbamoyl pyridone derivative prodrug SHIONOGI & CO., LTD. (JP) 2015-03-24 US disclosed
US-8987441-B2 Substituted polycyclic carbamoyl pyridone derivative prodrug SHIONOGI & CO., LTD. (JP) 2015-03-24 US disclosed
US-20150065485-A1 SUBSTITUTED POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE SHIONOGI & CO (JP) 2015-03-05 US disclosed
US-20150065485-A1 SUBSTITUTED POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE SHIONOGI & CO (JP) 2015-03-05 US disclosed
US-8927710-B2 Substituted polycyclic carbamoylpyridone derivative SHIONOGI & CO., LTD. (JP) 2015-01-06 US disclosed
US-8927710-B2 Substituted polycyclic carbamoylpyridone derivative SHIONOGI & CO., LTD. (JP) 2015-01-06 US disclosed
EP-2620436-A1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG Shionogi&Co., Ltd. (JP) 2013-07-31 EP disclosed
US-20120184734-A1 SUBSTITUTED POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2012-07-19 US disclosed
EP-2444400-A1 SUBSTITUTED POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE Shionogi&Co., Ltd. (JP) 2012-04-25 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 (6 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-20150111854-A1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG PREP, UNG, DPP4 ALDH1A1 1564/4885L3MBTL1 2179/4885LMNA 1238/4885
US-20150065485-A1 SUBSTITUTED POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE CNBP, ZC3HAV1, DPP4 ALDH1A1 1813/4885L3MBTL1 1890/4885LMNA 1705/4885
US-20120184734-A1 SUBSTITUTED POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE CNBP, ZC3HAV1, DPP4 ALDH1A1 1813/4885L3MBTL1 1890/4885LMNA 1705/4885
US-20170349587-A1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG PREP, UNG, DPP4 ALDH1A1 1564/4885L3MBTL1 2179/4885LMNA 1238/4885
US-20200339565-A1 PRODRUG SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PREP, UNG, DPP4 ALDH1A1 1478/4885L3MBTL1 2198/4885LMNA 1244/4885
US-10202379-B2 Substituted polycyclic carbamoyl pyridone derivative prodrug PREP, UNG, DPP4 ALDH1A1 1564/4885L3MBTL1 2179/4885LMNA 1238/4885

“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.