SCHEMBL2126402

SCHEMBL2126402

NC(=O)CC(F)(F)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
GMNN O75496 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
GLA P06280 1/20 0.33
POLB P06746 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
CYP2C19 P33261 1/20 0.33
THPO P40225 1/20 0.33
RECQL P46063 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 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
Hydrochloric Acid SCHEMBL28697378 0.81 THRB (0.32)
SCHEMBL28532228 0.79 THRB (0.41) LMNA
SCHEMBL4439060 0.78 CA1 (0.33) KDM4EGMNNUSP2ALDH1A1LMNA
SCHEMBL211941 0.75
SCHEMBL13560384 0.74 KMT2A (0.41) KDM4EGMNNUSP2ALDH1A1LMNA
SCHEMBL20677201 0.74 TET2 (0.32) KDM4EGMNNUSP2ALDH1A1LMNA
SCHEMBL865358 0.73 ACLY (0.44) KDM4EALDH1A1LMNAPOLBCYP2C19
Hydrochloric Acid SCHEMBL6357189 0.73
SCHEMBL865357 0.73 TET2 (0.30)
SCHEMBL15269810 0.72 KDM4E (0.31) KDM4EGMNNUSP2ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240182463-A1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG SHIONOGI & CO., LTD. (JP) 2024-06-06 US disclosed
US-20230117695-A1 ARENAVIRUS GROWTH INHIBITOR COMPRISING POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2023-04-20 US disclosed
US-11492352-B2 Arenavirus growth inhibitor comprising polycyclic carbamoylpyridone derivative NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2022-11-08 US disclosed
US-20210292321-A1 ARENAVIRUS GROWTH INHIBITOR COMPRISING POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2021-09-23 US disclosed
EP-3815689-A1 ARENAVIRUS GROWTH INHIBITOR COMPRISING POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE National University Corporation Hokkaido University (JP) 2021-05-05 EP disclosed
US-20200339565-A1 PRODRUG SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2020-10-29 US 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
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-20160368921-A1 SUBSTITUTED POLYCYCLIC CARBAMOLYPYRIDONE DERIVATIVE SHIONOGI & CO (JP) 2016-12-22 US disclosed
US-9469638-B2 Substituted polycyclic carbamoylpyridone derivative SHIONOGI & CO., LTD. (JP) 2016-10-18 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-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-20130197219-A1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG SHIONOGI & CO., LTD. (JP) 2013-08-01 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 (12 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-11492352-B2 Arenavirus growth inhibitor comprising polycyclic carbamoylpyridone derivative LUC7L2, CXCR6, RRP12 KDM4E 1438/4885GMNN 2030/4885USP2 2866/4885
US-20150111854-A1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG PREP, UNG, DPP4 KDM4E 316/4885GMNN 1528/4885USP2 1225/4885
US-20160368921-A1 SUBSTITUTED POLYCYCLIC CARBAMOLYPYRIDONE DERIVATIVE CNBP, ZC3HAV1, DPP4 KDM4E 241/4885GMNN 2123/4885USP2 1001/4885
US-20240182463-A1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG PREP, UNG, DPP4 KDM4E 316/4885GMNN 1528/4885USP2 1225/4885
US-20150065485-A1 SUBSTITUTED POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE CNBP, ZC3HAV1, DPP4 KDM4E 208/4885GMNN 2285/4885USP2 1023/4885
US-20230117695-A1 ARENAVIRUS GROWTH INHIBITOR COMPRISING POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE CDK7, CCNA1, CCR10 KDM4E 1154/4885GMNN 1427/4885USP2 3144/4885
US-20120184734-A1 SUBSTITUTED POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE CNBP, ZC3HAV1, DPP4 KDM4E 208/4885GMNN 2285/4885USP2 1023/4885
US-20190248785-A1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG PREP, UNG, DPP4 KDM4E 316/4885GMNN 1528/4885USP2 1225/4885
US-20130197219-A1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG PREP, UNG, DPP4 KDM4E 316/4885GMNN 1528/4885USP2 1225/4885
US-20200339565-A1 PRODRUG SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PREP, UNG, DPP4 KDM4E 351/4885GMNN 1546/4885USP2 1309/4885
US-20210292321-A1 ARENAVIRUS GROWTH INHIBITOR COMPRISING POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE CCNA1, CDK7, CCR10 KDM4E 1433/4885GMNN 1528/4885USP2 3193/4885
US-10202379-B2 Substituted polycyclic carbamoyl pyridone derivative prodrug PREP, UNG, DPP4 KDM4E 316/4885GMNN 1528/4885USP2 1225/4885

“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.