SCHEMBL2186609

SCHEMBL2186609

COCCN1CCn2cc(C(=O)NCc3ccc(OC)cc3)c(=O)c(O)c2C1=O

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
CLK1 P49759 1/20 0.42
MMP3 P08254 1/20 0.42
PDE2A O00408 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
ADORA2A P29274 1/20 0.41
ADORA1 P30542 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
SCHEMBL2186281 0.91 TP53 (0.43)
SCHEMBL82568 0.91 LIPG (0.46) MAPT
SCHEMBL2185365 0.90 PDE2A (0.45) PDE2A
SCHEMBL2186222 0.88 ELANE (0.45)
SCHEMBL3525535 0.86 PDE10A (0.42)
SCHEMBL2187748 0.85 LIPG (0.45) MAPT
SCHEMBL2185779 0.84 MAPK1 (0.47) MAPK1
SCHEMBL2186706 0.83 MAPK1 (0.57) KDM4EMAPK1
SCHEMBL2187836 0.83 P2RX7 (0.43)
SCHEMBL3528016 0.83 ALDH1A1 (0.43) MMP3PDE2AMAPTMAPK1

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 TSHR 3028/4885CLK1 3374/4885MMP3 4069/4885

“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.