SCHEMBL2185365

SCHEMBL2185365

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

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.45
EPHX2 P34913 1/20 0.42
NR1H4 Q96RI1 1/20 0.42
LIPG Q9Y5X9 1/20 0.41
EGLN1 Q9GZT9 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
CYP2C9 P11712 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ELANE P08246 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL2186609 0.90 TSHR (0.43) PDE2A
SCHEMBL2188289 0.90 GLS (0.44) PPARDPPARA
SCHEMBL2186222 0.90 ELANE (0.45) PPARAELANE
SCHEMBL82568 0.88 LIPG (0.46) LIPGSMN1; SMN2
SCHEMBL2186281 0.87 TP53 (0.43)
SCHEMBL2186243 0.84 PDE2A (0.43) PDE2AEPHX2NR1H4
SCHEMBL2187836 0.84 P2RX7 (0.43) ELANE
SCHEMBL2187748 0.83 LIPG (0.45) LIPGSMN1; SMN2CYP3A4
SCHEMBL2186917 0.83 ELANE (0.48) HPGDELANE
SCHEMBL3525535 0.82 PDE10A (0.42)

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 PDE2A 4538/4885EPHX2 3439/4885NR1H4 560/4885

“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.