SCHEMBL4171401

SCHEMBL4171401

O=C(NCc1ccc(F)cc1)c1cn2c(c(O)c1=O)C(=O)N(Cc1ccc(F)cc1)NC2

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC22A2 O15244 17/20 0.48
CYP3A4 P08684 1/20 0.46
TMEM97 Q5BJF2 1/20 0.46
ABCG2 Q9UNQ0 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
SCHEMBL3520763 0.82 TP53 (0.49) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL3526227 0.82 SLC22A2 (0.47) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL2185540 0.80 SLC22A2 (0.50) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL4167533 0.78 POU2F2 (0.44) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL4317997 0.78 SCD (0.47) SLC22A2
SCHEMBL4170844 0.78 POU2F2 (0.47) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL2238466 0.78 SLC22A2 (0.51) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL4154841 0.78 LIPG (0.47) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL3522687 0.77 SLC22A2 (0.49) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL81673 0.77 SLC22A2 (0.47) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1950212-B1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING INHIBITORY ACTIVITY ON HIV INTEGRASE SHIONOGI & CO (JP) 2016-02-24 EP disclosed
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
US-20090143356-A1 Polycylclic Carbamoylpyridone Derivative Having HIV Integrase Inhibitory Acitvity SHIONOGI & CO., LTD. (JP) 2009-06-04 US disclosed
EP-1950212-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING INHIBITORY ACTIVITY ON HIV INTEGRASE Shionogi Co., Ltd. (JP) 2008-07-30 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 (2 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-20120208998-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY CDKN1A, CDK2, CDK2AP1 SLC22A2 4007/4885CYP3A4 398/4885TMEM97 4665/4885
US-20090143356-A1 Polycylclic Carbamoylpyridone Derivative Having HIV Integrase Inhibitory Acitvity CDK20, CYP4A22, CDK10 SLC22A2 503/4885CYP3A4 484/4885TMEM97 3984/4885

“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.