SCHEMBL80366

SCHEMBL80366

O=C(NCc1ccc(F)cc1F)c1cn2c(c(O)c1=O)C(=O)N1C[C@H]3CCCN3[C@@H]1C2

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC22A2 O15244 15/20 0.64
CYP3A4 P08684 1/20 0.60
TMEM97 Q5BJF2 1/20 0.60
ABCG2 Q9UNQ0 1/20 0.60

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
SCHEMBL2678807 1.00 SLC22A2 (0.64) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL19177145 1.00 SLC22A2 (0.64) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL30231732 1.00 SLC22A2 (0.64) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL29464234 1.00 SLC22A2 (0.64) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL19041037 1.00 SLC22A2 (0.64) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL82075 1.00 SLC22A2 (0.64) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL86352 1.00 SLC22A2 (0.64) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL12434937 1.00 SLC22A2 (0.64) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL21356931 1.00 SLC22A2 (0.64) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL81764 0.99 SLC22A2 (0.64) SLC22A2CYP3A4TMEM97ABCG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2527007-B1 Polycyclic carbamoylpyridone derivative having HIV integrase inhibitory activity VIIV HEALTHCARE CO (US) 2016-03-30 EP claimed
US-20130172559-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY VIIV HEALTHCARE COMPANY (US) 2013-07-04 US claimed
US-20090318421-A1 Polycyclic carbamoylpyridone derivative having hiv integrase inhibitory activity VIIV HEALTHCARE COMPANY 2009-12-24 US claimed
US-20240279238-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2024-08-22 US disclosed
EP-3045206-B2 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY VIIV HEALTHCARE CO (US) 2023-02-15 EP disclosed
US-20220213121-A1 SUBSTITUTED 1,2,3,3a,4,5,7,9,13,13a-DECAHYDROPYRIDO[1',2':4,5]PYRAZINO[1,2-a]PYRROLO[1,2-c]PYRIMIDINES HAVING HIV INTEGRASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2022-07-07 US disclosed
US-20220213121-A1 SUBSTITUTED 1,2,3,3a,4,5,7,9,13,13a-DECAHYDROPYRIDO[1',2':4,5]PYRAZINO[1,2-a]PYRROLO[1,2-c]PYRIMIDINES HAVING HIV INTEGRASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2022-07-07 US disclosed
US-11267823-B2 Substituted 1,2,3,3a,4,5,7,9,13,13a-decahydropyrido[1′,2′:4,5]pyrazino[1,2-a]pyrrolo[1,2-c]pyrimidines having HIV integrase inhibitory activity SHIONOGI & CO., LTD. (JP) 2022-03-08 US disclosed
US-11234985-B2 Antiviral therapy VIIV HEALTHCARE COMPANY 2022-02-01 US disclosed
US-20210401850-A1 ANTIVIRAL THERAPY VIIV HEALTHCARE CO (US) 2021-12-30 US disclosed
EP-3372281-B1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY VIIV HEALTHCARE CO (US) 2021-07-07 EP disclosed
US-8129385-B2 Substituted 5-hydroxy-3,4,6,9,9a, 10-hexanhydro-2h-1-oxa04a,8a-diaza-anthracene-6,10-dioness SHIONOGI & CO., LTD. (JP) 2012-03-06 US disclosed
US-8129385-B2 Substituted 5-hydroxy-3,4,6,9,9a, 10-hexanhydro-2h-1-oxa04a,8a-diaza-anthracene-6,10-dioness SHIONOGI & CO., LTD. (JP) 2012-03-06 US disclosed
US-20110282055-A1 SYNTHESIS OF CARBAMOYLPYRIDONE HIV INTEGRASE INHIBITORS AND INTERMEDIATES VIIV HEALTHCARE COMPANY 2011-11-17 US disclosed
US-20110124598-A1 CHEMICAL COMPOUNDS VIIV HEALTHCARE COMPANY 2011-05-26 US disclosed
US-20110124598-A1 CHEMICAL COMPOUNDS VIIV HEALTHCARE COMPANY 2011-05-26 US disclosed
WO-2010068253-A1 SYNTHESIS OF CARBAMOYLPYRIDONE HIV INTEGRASE INHIBITORS AND INTERMEDIATES SHIONOGI & CO., LTD. (JP) 2010-06-17 WO disclosed
US-20090318421-A1 Polycyclic carbamoylpyridone derivative having hiv integrase inhibitory activity VIIV HEALTHCARE COMPANY 2009-12-24 US disclosed
US-20090318421-A1 Polycyclic carbamoylpyridone derivative having hiv integrase inhibitory activity VIIV HEALTHCARE COMPANY 2009-12-24 US disclosed
US-20090318421-A1 Polycyclic carbamoylpyridone derivative having hiv integrase inhibitory activity VIIV HEALTHCARE COMPANY 2009-12-24 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-20220213121-A1 SUBSTITUTED 1,2,3,3a,4,5,7,9,13,13a-DECAHYDROPYRIDO[1',2':4,5]PYRAZINO[1,2-a]PYRROLO[1,2-c]PYRIMIDINES HAVING HIV INTEGRASE INHIBITORY ACTIVITY TYMP, TYMS, POLA1 SLC22A2 4555/4885CYP3A4 230/4885TMEM97 4128/4885
US-11267823-B2 Substituted 1,2,3,3a,4,5,7,9,13,13a-decahydropyrido[1′,2′:4,5]pyrazino[1,2-a]pyrrolo[1,2-c]pyrimidines having HIV integrase inhibitory activity TYMP, TYMS, POLA1 SLC22A2 4565/4885CYP3A4 234/4885TMEM97 4135/4885
US-20240279238-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY TYMP, CDKN1A, POLL SLC22A2 4476/4885CYP3A4 527/4885TMEM97 4291/4885
US-20210401850-A1 ANTIVIRAL THERAPY IFNAR1, EIF2AK2, IRF3 SLC22A2 3264/4885CYP3A4 446/4885TMEM97 983/4885
US-20110282055-A1 SYNTHESIS OF CARBAMOYLPYRIDONE HIV INTEGRASE INHIBITORS AND INTERMEDIATES CDK2, CDK6, BRD4 SLC22A2 4314/4885CYP3A4 191/4885TMEM97 4340/4885
US-20110124598-A1 CHEMICAL COMPOUNDS APRT, API5, REL SLC22A2 2639/4885CYP3A4 60/4885TMEM97 4076/4885
US-20130172559-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY NR4A1, NCOA4, NR4A2 SLC22A2 2976/4885CYP3A4 28/4885TMEM97 3567/4885
US-20090318421-A1 Polycyclic carbamoylpyridone derivative having hiv integrase inhibitory activity NR4A1, NCOA4, NR4A2 SLC22A2 2976/4885CYP3A4 28/4885TMEM97 3567/4885
US-11234985-B2 Antiviral therapy SAMHD1, EIF2AK2, MAVS SLC22A2 3994/4885CYP3A4 1718/4885TMEM97 3480/4885

“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.