SCHEMBL92984

SCHEMBL92984

O=C(NCc1ccc(F)cc1F)c1cn2c(c(O)c1=O)C(=O)N1CCO[C@H]1C2

nearest known ligand 0.78

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC22A2 O15244 14/20 0.75
CYP3A4 P08684 1/20 0.75
TMEM97 Q5BJF2 1/20 0.75
ABCG2 Q9UNQ0 1/20 0.75

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
SCHEMBL19307750 1.00 SLC22A2 (0.75) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL25020556 1.00 SLC22A2 (0.75) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL83236 0.95 SLC22A2 (0.73) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL20822030 0.95 SLC22A2 (0.73) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL17285475 0.95 SLC22A2 (0.73) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL19313899 0.94 SLC22A2 (0.72) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL17005286 0.92 SLC22A2 (0.64) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL21696352 0.88 SLC22A2 (0.64) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL81251 0.88 SLC22A2 (0.57) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL2679573 0.87 SLC22A2 (0.72) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170253616-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2017-09-07 US disclosed
EP-2465580-A1 Polycyclic carbamoylpyridone derivatives having hiv integrase inhibitory activity Glaxosmithkline LLC (US) 2012-06-20 EP disclosed
US-20120115875-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY GLAXOSMITHKLINE LLC 2012-05-10 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-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 (3 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-20120115875-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY NR4A1, NCOA4, NR4A2 SLC22A2 2976/4885CYP3A4 28/4885TMEM97 3567/4885
US-20170253616-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY NR4A1, NCOA4, NR4A2 SLC22A2 2944/4885CYP3A4 31/4885TMEM97 3447/4885
US-20090318421-A1 Polycyclic carbamoylpyridone derivative having hiv integrase inhibitory activity NR4A1, NCOA4, NR4A2 SLC22A2 2976/4885CYP3A4 28/4885TMEM97 3567/4885

“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.