SCHEMBL25527477

SCHEMBL25527477

C#C[C@](CCn1cnc2c(N)nc(F)nc21)(COP(=O)(N[C@@H](Cc1cc(F)cc(F)c1)C(=O)OCCCCCCCCCCCCCCCCCCCCC)Oc1ccccc1)OC

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SERPINA3 P01011 1/20 0.46
KDM4E B2RXH2 1/20 0.30
NSD2 O96028 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
GLA P06280 1/20 0.30
CYP3A4 P08684 1/20 0.30
GAA P10253 1/20 0.30
CYP2D6 P10635 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C9 P11712 1/20 0.30
HPGD P15428 1/20 0.30
CYP2C19 P33261 1/20 0.30
FGFR1 P11362 1/20 0.30
TMIGD3 P0DMS9 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA1 P30542 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
SCHEMBL25527399 1.00 SERPINA3 (0.46) SERPINA3KDM4ENSD2ALDH1A1CYP1A2
SCHEMBL25527450 1.00 SERPINA3 (0.46) SERPINA3KDM4ENSD2ALDH1A1CYP1A2
SCHEMBL25542594 1.00 SERPINA3 (0.46) SERPINA3KDM4ENSD2ALDH1A1CYP1A2
SCHEMBL25527305 0.96 SERPINA3 (0.51) SERPINA3KDM4ENSD2ALDH1A1CYP1A2
SCHEMBL25542572 0.96 SERPINA3 (0.51) SERPINA3KDM4ENSD2ALDH1A1CYP1A2
SCHEMBL25531012 0.96 SERPINA3 (0.51) SERPINA3KDM4ENSD2ALDH1A1CYP1A2
SCHEMBL25542052 0.96 SERPINA3 (0.51) SERPINA3KDM4ENSD2ALDH1A1CYP1A2
SCHEMBL25542380 0.96 SERPINA3 (0.51) SERPINA3KDM4ENSD2ALDH1A1CYP1A2
SCHEMBL25542031 0.96 SERPINA3 (0.51) SERPINA3KDM4ENSD2ALDH1A1CYP1A2
SCHEMBL25527566 0.93 SERPINA3 (0.43) SERPINA3

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 304/4885KDM4E 3301/4885NSD2 3181/4885

“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.