SCHEMBL25536730

SCHEMBL25536730

CC(C)OC(=O)[C@H](Cc1ccccc1)NP(=O)(OC[C@@]1(C)O[C@@H](n2cnc3c(N)nc(F)nc32)C[C@@H]1O)Oc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SERPINA3 P01011 1/20 0.53
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 2/20 0.35
CA5A P35218 1/20 0.35
NT5E P21589 3/20 0.34
ADORA3 P0DMS8 5/20 0.34
ADORA2A P29274 5/20 0.34
ADORA2B P29275 3/20 0.34
ADORA1 P30542 3/20 0.34
TYMS P04818 1/20 0.33
ADCY2 Q08462 1/20 0.33

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
SCHEMBL29830652 0.91 SERPINA3 (0.51) SERPINA3CYP3A4CYP2C9CA5ANT5E
SCHEMBL25542537 0.91 SERPINA3 (0.51) SERPINA3CYP3A4CYP2C9CA5ANT5E
SCHEMBL25542556 0.91 SERPINA3 (0.51) SERPINA3CYP3A4CYP2C9CA5ANT5E
SCHEMBL30335218 0.91 SERPINA3 (0.51) SERPINA3CYP3A4CYP2C9CA5ANT5E
SCHEMBL29830757 0.91 SERPINA3 (0.51) SERPINA3CYP3A4CYP2C9CA5ANT5E
SCHEMBL24824202 0.91 SERPINA3 (0.51) SERPINA3CYP3A4CYP2C9CA5ANT5E
SCHEMBL25542502 0.91 SERPINA3 (0.43) SERPINA3CA5ANT5EADORA3ADORA2A
SCHEMBL25527227 0.91 SERPINA3 (0.43) SERPINA3CA5ANT5EADORA3ADORA2A
SCHEMBL25531399 0.91 SERPINA3 (0.43) SERPINA3CA5ANT5EADORA3ADORA2A
SCHEMBL25531131 0.91 SERPINA3 (0.43) SERPINA3CA5ANT5EADORA3ADORA2A

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 304/4885CYP3A4 136/4885CYP2C9 624/4885

“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.