SCHEMBL25526930

SCHEMBL25526930

C#C[C@](CCn1cnc2c(N)nc(F)nc21)(COP(=O)(N[C@@H](Cc1ccccc1)C(=O)OCCCCCCCCCCCC)O[C@@H](C)C(=O)OCCCCCCCCCCCC)OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINA3 P01011 1/20 0.52
TMIGD3 P0DMS9 3/20 0.32
ADORA2A P29274 3/20 0.32
ADORA1 P30542 3/20 0.32
CYP3A4 P08684 7/20 0.31
CYP2D6 P10635 7/20 0.31
KDM4E B2RXH2 1/20 0.31
NSD2 O96028 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31
ADORA2B P29275 1/20 0.31
FGFR1 P11362 2/20 0.31
BCHE P06276 1/20 0.30
ACHE P22303 1/20 0.30

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
SCHEMBL25542572 0.93 SERPINA3 (0.51) SERPINA3TMIGD3ADORA2AADORA1CYP3A4
SCHEMBL25542380 0.93 SERPINA3 (0.51) SERPINA3TMIGD3ADORA2AADORA1CYP3A4
SCHEMBL25542031 0.93 SERPINA3 (0.51) SERPINA3TMIGD3ADORA2AADORA1CYP3A4
SCHEMBL25531012 0.93 SERPINA3 (0.51) SERPINA3TMIGD3ADORA2AADORA1CYP3A4
SCHEMBL25527305 0.93 SERPINA3 (0.51) SERPINA3TMIGD3ADORA2AADORA1CYP3A4
SCHEMBL25542052 0.93 SERPINA3 (0.51) SERPINA3TMIGD3ADORA2AADORA1CYP3A4
SCHEMBL25526907 0.92 SERPINA3 (0.50) SERPINA3TMIGD3ADORA2AADORA1CYP3A4
SCHEMBL25526895 0.91 SERPINA3 (0.54) SERPINA3TMIGD3ADORA2AADORA1CYP3A4
SCHEMBL25526914 0.91 SERPINA3 (0.54) SERPINA3TMIGD3ADORA2AADORA1CYP3A4
SCHEMBL25527477 0.89 SERPINA3 (0.46) SERPINA3TMIGD3ADORA2AADORA1CYP3A4

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-20230151049-A1 Compounds Useful in HIV Therapy VIIV HEALTHCARE COMPANY (US) 2023-05-18 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-20230151049-A1 Compounds Useful in HIV Therapy CCR5, CD4, NPC1 SERPINA3 304/4885TMIGD3 4680/4885ADORA2A 2043/4885

“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.