SCHEMBL2186706

SCHEMBL2186706

COCCN1CCn2cc(C(=O)NCc3ccccc3OC)c(=O)c(O)c2C1=O

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.57
ALDH1A1 P00352 5/20 0.49
F2 P00734 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HPGD P15428 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
POLB P06746 2/20 0.47
TP53 P04637 2/20 0.46
KDM4E B2RXH2 1/20 0.45
RCE1 Q9Y256 1/20 0.45
PDE10A Q9Y233 1/20 0.44

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
SCHEMBL2186241 0.92 MAPK1 (0.48) MAPK1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL2187020 0.91 MAPK1 (0.47) MAPK1
SCHEMBL2187081 0.90 MAPK1 (0.44) MAPK1
SCHEMBL2185779 0.90 MAPK1 (0.47) MAPK1
SCHEMBL2187307 0.87 P2RX7 (0.50) MAPK1
SCHEMBL82568 0.83 LIPG (0.46) SMN1; SMN2
SCHEMBL2186609 0.83 TSHR (0.43) MAPK1KDM4E
SCHEMBL3525528 0.83 MAPK1 (0.50) MAPK1ALDH1A1F2SMN1; SMN2HPGD
SCHEMBL24521738 0.83
SCHEMBL3525535 0.82 PDE10A (0.42) PDE10A

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 MAPK1 3202/4885ALDH1A1 2496/4885F2 3807/4885

“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.