SCHEMBL23213616

SCHEMBL23213616

CCOC(=O)Cn1nc(C(F)(F)F)cc1C1CC1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.57
GRIN1 Q05586 4/20 0.46
GRIN2A Q12879 4/20 0.46
GRIA2 P42262 1/20 0.46
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.43
LMNA P02545 1/20 0.43
TRPM2 O94759 1/20 0.42
TSHR P16473 1/20 0.41
CRACR2A Q9BSW2 1/20 0.41
HPGD P15428 1/20 0.41
TP53 P04637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PTGS2 P35354 1/20 0.40

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
SCHEMBL29427427 0.82 POLB (0.48) POLBGRIN1GRIN2AGRIA2KDM4E
SCHEMBL31648650 0.82 TSHR (0.43) POLBKDM4EGAATSHRPTGS2
SCHEMBL29427426 0.82 POLB (0.47) POLBGRIN1GRIN2AGRIA2KDM4E
SCHEMBL14555664 0.81 POLB (0.58) POLBGRIN1GRIN2AGRIA2KDM4E
SCHEMBL22655925 0.81 TSHR (0.48) POLBKDM4EGAATSHRHPGD
SCHEMBL1834368 0.80 LMNA (0.47) POLBKDM4EGAALMNATRPM2
SCHEMBL2585488 0.79 TSHR (0.46) POLBGRIN1GRIN2AGRIA2KDM4E
SCHEMBL2586535 0.79 LMNA (0.46) POLBKDM4EGAALMNATRPM2
SCHEMBL3689393 0.79 LMNA (0.46) POLBKDM4EGAALMNATRPM2
SCHEMBL12636204 0.78 CYP2C19 (0.46) POLBKDM4EGAALMNATRPM2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4041729-B1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE UK NO 5 LTD (GB) 2023-09-27 EP disclosed
US-20220370451-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2022-11-24 US disclosed
EP-4041729-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2022-08-17 EP disclosed
WO-2021070054-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2021-04-15 WO 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-20220370451-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, SAMHD1, POLR2H POLB 19/4885GRIN1 3799/4885GRIN2A 4477/4885

“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.