SCHEMBL24602909

SCHEMBL24602909

O=C(NCc1ccc(F)cc1F)c1cn2c(c(O)c1=O)C(=O)N1[C@H]3CCCCC[C@H]3CN(C3CC3)[C@@H]1C2

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC22A2 O15244 20/20 0.72
CYP3A4 P08684 1/20 0.61
TMEM97 Q5BJF2 1/20 0.61
ABCG2 Q9UNQ0 1/20 0.61

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
SCHEMBL29464196 0.99 SLC22A2 (0.73) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL79992 0.99 SLC22A2 (0.73) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL4487700 0.99 SLC22A2 (0.73) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL29775486 0.99 SLC22A2 (0.73) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL19056214 0.99 SLC22A2 (0.73) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL24603009 0.91 SLC22A2 (0.69) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL4482213 0.90 SLC22A2 (0.70) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL80975 0.90 SLC22A2 (0.70) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL20983475 0.90 SLC22A2 (0.70) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL22602568 0.89 SLC22A2 (0.69) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220213121-A1 SUBSTITUTED 1,2,3,3a,4,5,7,9,13,13a-DECAHYDROPYRIDO[1',2':4,5]PYRAZINO[1,2-a]PYRROLO[1,2-c]PYRIMIDINES HAVING HIV INTEGRASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2022-07-07 US 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-20220213121-A1 SUBSTITUTED 1,2,3,3a,4,5,7,9,13,13a-DECAHYDROPYRIDO[1',2':4,5]PYRAZINO[1,2-a]PYRROLO[1,2-c]PYRIMIDINES HAVING HIV INTEGRASE INHIBITORY ACTIVITY TYMP, TYMS, POLA1 SLC22A2 4555/4885CYP3A4 230/4885TMEM97 4128/4885

“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.