SCHEMBL2186003

SCHEMBL2186003

O=C(NCc1ccc(F)cc1)c1cn2c(c(O)c1=O)C(=O)N(Cc1ccc(F)cc1)CC2O

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
POU2F2 P09086 3/20 0.45
SLC22A2 O15244 9/20 0.43
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
TMEM97 Q5BJF2 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.42

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
SCHEMBL3528387 0.89 POU2F2 (0.47) POU2F2
SCHEMBL2186585 0.88 POU2F2 (0.45) POU2F2SLC22A2
SCHEMBL2186404 0.87 POU2F2 (0.47) POU2F2SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL8932593 0.87 SLC22A2 (0.42) SLC22A2TP53
SCHEMBL3521604 0.84 POU2F2 (0.43) POU2F2
SCHEMBL2185540 0.81 SLC22A2 (0.50) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL3520763 0.81 TP53 (0.49) SLC22A2TP53CYP3A4TMEM97ABCG2
SCHEMBL3522619 0.80 POU2F2 (0.48) POU2F2
SCHEMBL4170844 0.79 POU2F2 (0.47) POU2F2SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL2238466 0.79 SLC22A2 (0.51) POU2F2SLC22A2CYP3A4TMEM97ABCG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1852434-B1 BICYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITING ACTIVITY SHIONOGI & CO (JP) 2011-07-13 EP disclosed
US-7858788-B2 Bicyclic carbamoylpyridone derivative having HIV integrase inhibitory activity SHIONOGI & CO., LTD. (JP) 2010-12-28 US disclosed
US-20080161271-A1 Bicyclic Carbamoylpyridone Derivative Having Hiv Integrase Inhibitory Activity SHIONOGI & CO., LTD. (JP) 2008-07-03 US disclosed
EP-1852434-A1 BICYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITING ACTIVITY Shionogi Co., Ltd. (JP) 2007-11-07 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 (1 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-20080161271-A1 Bicyclic Carbamoylpyridone Derivative Having Hiv Integrase Inhibitory Activity NR4A1, HAT1, NR4A2 POU2F2 294/4885SLC22A2 2858/4885TP53 3380/4885

“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.