SCHEMBL24969604

SCHEMBL24969604

C[C@H]1CO[C@@H]2Cn3cc(C(=O)O)c(=O)c(OCc4ccccc4)c3C(=O)N12

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC22A2 O15244 5/20 0.39
CYP3A4 P08684 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
S1PR5 Q9H228 1/20 0.35
ALKBH1 Q13686 3/20 0.35
GRM2 Q14416 1/20 0.35
GLRA1 P23415 1/20 0.34
MCHR1 Q99705 1/20 0.33
LMNA P02545 1/20 0.33
KMO O15229 1/20 0.32

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
SCHEMBL24969606 0.92 SLC22A2 (0.41) SLC22A2CYP3A4TMEM97ABCG2S1PR5
SCHEMBL19921592 0.91 SLC22A2 (0.48) SLC22A2CYP3A4TMEM97ABCG2ALKBH1
SCHEMBL14866503 0.91 SLC22A2 (0.48) SLC22A2CYP3A4TMEM97ABCG2ALKBH1
SCHEMBL2161654 0.86 GRM2 (0.36) SLC22A2S1PR5GRM2GLRA1LMNA
SCHEMBL21780072 0.86 GRM2 (0.36) SLC22A2S1PR5GRM2GLRA1LMNA
SCHEMBL82203 0.85 SLC22A2 (0.49) SLC22A2CYP3A4TMEM97ABCG2LMNA
SCHEMBL12319716 0.84 SLC22A2 (0.49) SLC22A2CYP3A4TMEM97ABCG2LMNA
SCHEMBL26287678 0.84 SLC22A2 (0.49) SLC22A2CYP3A4TMEM97ABCG2LMNA
SCHEMBL18755768 0.84 SLC22A2 (0.49) SLC22A2CYP3A4TMEM97ABCG2LMNA
SCHEMBL19755592 0.83 SLC22A2 (0.43) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230020329-A1 Annelated 9-hydroxy-1,8-dioxo-1,3,4,8-tetrahydro-2H-pyrido[1,2-a]pyrazine-7-carboxamides as HIV integrase inhibitors, methods of preparation and application thereof Ivachtchenko Alexandrovna Alena (US) 2023-01-19 US disclosed
EP-3978503-A1 ANNELATED 9-HYDROXY-1,8-DIOXO-1,3,4,8-TETRAHYDRO-2H-PYRIDO[1,2-a]PYRAZINE-7-CARBOXAMIDES AS HIV INTEGRASE INHIBITORS Ivachtchenko, Alena Alexandrovna (US) 2022-04-06 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-20230020329-A1 Annelated 9-hydroxy-1,8-dioxo-1,3,4,8-tetrahydro-2H-pyrido[1,2-a]pyrazine-7-carboxamides as HIV integrase inhibitors, methods of preparation and application thereof CDK9, DPYD, INTS9 SLC22A2 3786/4885CYP3A4 31/4885TMEM97 2006/4885

“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.