SCHEMBL2186404

SCHEMBL2186404

O=C(NCc1ccc(F)cc1)c1cn2c(c(O)c1=O)C(=O)N(CC1CCCCC1)CC2O

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POU2F2 P09086 4/20 0.47
POLB P06746 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
SLC22A2 O15244 6/20 0.42
CYP3A4 P08684 1/20 0.42
TMEM97 Q5BJF2 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 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
SCHEMBL2186003 0.87 POU2F2 (0.45) POU2F2SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL2185785 0.84 POU2F2 (0.47) POU2F2
SCHEMBL3528387 0.84 POU2F2 (0.47) POU2F2
SCHEMBL2185698 0.83 SLC22A2 (0.48) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL3521604 0.80 POU2F2 (0.43) POU2F2
SCHEMBL81275 0.78 POU2F2 (0.50) POU2F2POLBRAB9ASMN1; SMN2RXFP1
SCHEMBL22469550 0.78 POU2F2 (0.50) POU2F2RXFP1SLC22A2
SCHEMBL22482391 0.78 POU2F2 (0.50) POU2F2RXFP1SLC22A2
SCHEMBL2186585 0.78 POU2F2 (0.45) POU2F2SLC22A2
SCHEMBL82612 0.76 SLC22A2 (0.45) SLC22A2CYP3A4TMEM97ABCG2KDM4E

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 294/4885POLB 619/4885RAB9A 4520/4885

“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.