SCHEMBL10443136

SCHEMBL10443136

O=C1c2ccccc2CS(=O)(=O)c2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.52
MIF P14174 1/20 0.49
CES1 P23141 2/20 0.47
NOTUM Q6P988 1/20 0.46
BCHE P06276 1/20 0.44
PLCG1 P19174 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CDC25B P30305 1/20 0.41
GPR3 P46089 1/20 0.40
HPGD P15428 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
CHEK1 O14757 2/20 0.39
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 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
SCHEMBL9001235 0.86 NOTUM (0.50) MAOAMIFCES1NOTUMPLCG1
SCHEMBL19820957 0.78 NPC1 (0.54) MAOAMIFCES1NOTUMMEN1
SCHEMBL181753 0.75 PLCG1 (0.47) MIFNOTUMBCHEPLCG1MEN1
SCHEMBL11873647 0.75 NOTUM (0.46) MIFNOTUMMEN1KMT2AGPR3
SCHEMBL31472931 0.72 GPR3 (0.75) MAOAMEN1KMT2ACDC25BGPR3
SCHEMBL472539 0.72 GPR3 (0.75) MAOAMEN1KMT2ACDC25BGPR3
SCHEMBL29368441 0.72 GPR3 (0.75) MAOAMEN1KMT2ACDC25BGPR3
SCHEMBL31350820 0.71 HRH1 (0.47) NOTUMPLCG1MEN1KMT2AHPGD
SCHEMBL20644286 0.69 PLCG1 (0.41) MAOAMIFNOTUMBCHEPLCG1
SCHEMBL10196636 0.69 GPR3 (0.44) MIFNOTUMBCHEPLCG1MEN1

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 29 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
EP-3256468-B1 TRICYCLIC COMPOUNDS AND USES THEREOF IN MEDICINE SUNSHINE LAKE PHARMA CO LTD (CN) 2020-04-08 EP disclosed
US-20190248785-A1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG SHIONOGI & CO., LTD. (JP) 2019-08-15 US disclosed
US-10202379-B2 Substituted polycyclic carbamoyl pyridone derivative prodrug SHIONOGI & CO., LTD. (JP) 2019-02-12 US disclosed
US-10183917-B2 Tricyclic compounds and uses thereof in medicine SUNSHINE LAKE PHARMA CO., LTD. (CN) 2019-01-22 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-20180030003-A1 TRICYCLIC COMPOUNDS AND USES THEREOF IN MEDICINE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2018-02-01 US 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-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
US-20120184734-A1 SUBSTITUTED POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2012-07-19 US disclosed
WO-2010147068-A1 SUBSTITUTED POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE 塩野義製薬株式会社 (JP) 2010-12-23 WO disclosed
US-3985895-A DIURETIC AGENTS HOFFMANN-LA ROCHE INC. (US) 1976-10-12 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 (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-20150111854-A1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG PREP, UNG, DPP4 MAOA 555/4885MIF 900/4885CES1 343/4885
US-20150065485-A1 SUBSTITUTED POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE CNBP, ZC3HAV1, DPP4 MAOA 1003/4885MIF 1102/4885CES1 460/4885
US-20180030003-A1 TRICYCLIC COMPOUNDS AND USES THEREOF IN MEDICINE NR1H4, SLC10A1, SLC10A2 MAOA 1929/4885MIF 2393/4885CES1 284/4885
US-20120184734-A1 SUBSTITUTED POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE CNBP, ZC3HAV1, DPP4 MAOA 1003/4885MIF 1102/4885CES1 460/4885
US-20190248785-A1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG PREP, UNG, DPP4 MAOA 555/4885MIF 900/4885CES1 343/4885
US-20170349587-A1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG PREP, UNG, DPP4 MAOA 555/4885MIF 900/4885CES1 343/4885
US-20200339565-A1 PRODRUG SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PREP, UNG, DPP4 MAOA 575/4885MIF 856/4885CES1 304/4885
US-10202379-B2 Substituted polycyclic carbamoyl pyridone derivative prodrug PREP, UNG, DPP4 MAOA 555/4885MIF 900/4885CES1 343/4885
US-10183917-B2 Tricyclic compounds and uses thereof in medicine NR1H4, SLC10A1, SLC10A2 MAOA 1929/4885MIF 2393/4885CES1 284/4885

“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.