SCHEMBL2245686

SCHEMBL2245686

O=C(NCc1ccc(F)cc1)c1cn2c(c(O)c1=O)C(=O)N(C1CCCCC1)CC2

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC22A2 O15244 14/20 0.50
THRB P10828 1/20 0.48
CYP3A4 P08684 1/20 0.46
TMEM97 Q5BJF2 1/20 0.46
ABCG2 Q9UNQ0 1/20 0.46
POU2F2 P09086 1/20 0.46

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
SCHEMBL81225 0.90 SLC22A2 (0.51) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL83470 0.89 SLC22A2 (0.52) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL19071705 0.87 SLC22A2 (0.47) SLC22A2CYP3A4TMEM97ABCG2POU2F2
SCHEMBL19072174 0.87 SLC22A2 (0.47) SLC22A2CYP3A4TMEM97ABCG2POU2F2
SCHEMBL3526923 0.87 LMNA (0.55) SLC22A2
SCHEMBL82687 0.85 SLC22A2 (0.47) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL19071857 0.83 SLC22A2 (0.49) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL22584732 0.83 SLC22A2 (0.49) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL82023 0.83 SLC22A2 (0.49) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL17005322 0.82 SLC22A2 (0.48) SLC22A2CYP3A4TMEM97ABCG2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120208998-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY YOSHIDA HIROSHI (JP) 2012-08-16 US disclosed
US-8188271-B2 Polycyclic carbamoylpyridone derivative having HIV integrase inhibitory activity SHIONOGI & CO., LTD. (JP) 2012-05-29 US disclosed
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-20090143356-A1 Polycylclic Carbamoylpyridone Derivative Having HIV Integrase Inhibitory Acitvity SHIONOGI & CO., LTD. (JP) 2009-06-04 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 (3 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 SLC22A2 2858/4885THRB 2070/4885CYP3A4 40/4885
US-20120208998-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY CDKN1A, CDK2, CDK2AP1 SLC22A2 4007/4885THRB 3428/4885CYP3A4 398/4885
US-20090143356-A1 Polycylclic Carbamoylpyridone Derivative Having HIV Integrase Inhibitory Acitvity CDK20, CYP4A22, CDK10 SLC22A2 503/4885THRB 3733/4885CYP3A4 484/4885

“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.