SCHEMBL5018871

SCHEMBL5018871

CC(C)Cc1cc(F)cc2c1OCOC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GALR3 O60755 1/20 0.42
NR2F2 P24468 1/20 0.42
ALDH1A1 P00352 4/20 0.42
TDP1 Q9NUW8 2/20 0.42
MAPK8 P45983 1/20 0.42
KDM4E B2RXH2 2/20 0.40
RAB9A P51151 4/20 0.38
NPC1 O15118 2/20 0.38
POLB P06746 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CXCR5 P32302 1/20 0.38
EPHA2 P29317 1/20 0.36
KDR P35968 1/20 0.36
EPHB4 P54760 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 2/20 0.35
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
LTC4S Q16873 1/20 0.34

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
SCHEMBL5024437 0.82 GALR3 (0.47) GALR3NR2F2ALDH1A1TDP1MAPK8
SCHEMBL12844622 0.81 GALR3 (0.44) GALR3NR2F2ALDH1A1TDP1MAPK8
SCHEMBL18885134 0.79 ALDH1A1 (0.47) GALR3NR2F2ALDH1A1TDP1MAPK8
SCHEMBL1467720 0.79 MAPK8 (0.47) GALR3NR2F2ALDH1A1TDP1MAPK8
SCHEMBL3163857 0.79 ALDH1A1 (0.44) GALR3NR2F2ALDH1A1TDP1MAPK8
SCHEMBL12775849 0.78 GALR3 (0.47) GALR3NR2F2ALDH1A1TDP1MAPK8
SCHEMBL418824 0.78 ALDH1A1 (0.50) GALR3NR2F2ALDH1A1TDP1MAPK8
SCHEMBL15077055 0.78 ALDH1A1 (0.42) GALR3NR2F2ALDH1A1TDP1MAPK8
Hydrochloric Acid SCHEMBL2460792 0.78 MAPK8 (0.46) GALR3NR2F2ALDH1A1TDP1MAPK8
SCHEMBL4803010 0.75 ALDH1A1 (0.45) GALR3NR2F2ALDH1A1TDP1MAPK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-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-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
US-20120184734-A1 SUBSTITUTED POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2012-07-19 US disclosed
US-20120184734-A1 SUBSTITUTED POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2012-07-19 US disclosed
US-8178490-B2 Polybasic bacterial efflux pump inhibitors and therapeutic uses thereof REMPEX PHARMACEUTICALS, INC. (US) 2012-05-15 US disclosed
US-20100152098-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2010-06-17 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 (11 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 GALR3 621/4885NR2F2 396/4885ALDH1A1 4161/4885
US-20150111854-A1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG PREP, UNG, DPP4 GALR3 4213/4885NR2F2 3167/4885ALDH1A1 1564/4885
US-20160368921-A1 SUBSTITUTED POLYCYCLIC CARBAMOLYPYRIDONE DERIVATIVE CNBP, ZC3HAV1, DPP4 GALR3 3884/4885NR2F2 2379/4885ALDH1A1 1937/4885
US-20150065485-A1 SUBSTITUTED POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE CNBP, ZC3HAV1, DPP4 GALR3 3982/4885NR2F2 2258/4885ALDH1A1 1813/4885
US-20100152098-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF ABCB11, ABCB1, SLC47A1 GALR3 4680/4885NR2F2 4113/4885ALDH1A1 4062/4885
US-20120184734-A1 SUBSTITUTED POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE CNBP, ZC3HAV1, DPP4 GALR3 3982/4885NR2F2 2258/4885ALDH1A1 1813/4885
US-20190248785-A1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG PREP, UNG, DPP4 GALR3 4213/4885NR2F2 3167/4885ALDH1A1 1564/4885
US-20170349587-A1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG PREP, UNG, DPP4 GALR3 4213/4885NR2F2 3167/4885ALDH1A1 1564/4885
US-20130197219-A1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG PREP, UNG, DPP4 GALR3 4213/4885NR2F2 3167/4885ALDH1A1 1564/4885
US-20200339565-A1 PRODRUG SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PREP, UNG, DPP4 GALR3 4183/4885NR2F2 3181/4885ALDH1A1 1478/4885
US-20210292321-A1 ARENAVIRUS GROWTH INHIBITOR COMPRISING POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE CCNA1, CDK7, CCR10 GALR3 666/4885NR2F2 671/4885ALDH1A1 4074/4885

“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.