SCHEMBL2186994

SCHEMBL2186994

COCCN1C(=O)c2c(O)c(=O)c(C(=O)NCc3cccc(OC(F)(F)F)c3)cn2CC1O

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GLS O94925 2/20 0.42
KCNH2 Q12809 2/20 0.42
SCN9A Q15858 2/20 0.42
SCN5A Q14524 1/20 0.42
MAPK14 Q16539 1/20 0.41
ROCK2 O75116 2/20 0.41
RIPK1 Q13546 2/20 0.41
ROCK1 Q13464 1/20 0.41

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
SCHEMBL2186243 0.91 PDE2A (0.43) KCNH2SCN9ASCN5A
SCHEMBL2186850 0.89 ELANE (0.45)
SCHEMBL2188289 0.85 GLS (0.44) GLSMAPK14ROCK2RIPK1ROCK1
SCHEMBL3529763 0.84 SLC22A2 (0.43)
SCHEMBL3524286 0.84 ELANE (0.42)
SCHEMBL2185146 0.84 P2RX7 (0.47)
SCHEMBL3523992 0.83 SLC22A2 (0.47)
SCHEMBL3528016 0.83 ALDH1A1 (0.43)
SCHEMBL2186951 0.82 SLC22A2 (0.41)
SCHEMBL2186891 0.82 SLC22A2 (0.44)

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 GLS 2393/4885KCNH2 3386/4885SCN9A 3700/4885

“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.