SCHEMBL20007132

SCHEMBL20007132

CN(C(=O)[C@H](CCc1cc(F)cc(F)c1)NC(=O)OC(C)(C)C)c1ccc(N2CCOCC2)cc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.37
CTSS P25774 4/20 0.37
CTSK P43235 4/20 0.37
BACE1 P56817 1/20 0.36
HSP90AA1 P07900 3/20 0.36
HSP90AB1 P08238 2/20 0.36
BRD4 O60885 2/20 0.35
MAPT P10636 2/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
LMNA P02545 1/20 0.35
GPR183 P32249 1/20 0.35
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL18180275 0.91 CTSK (0.41) AOC3CTSSCTSKBACE1HSP90AA1
SCHEMBL19969271 0.84 CTSK (0.41) CTSSCTSK
SCHEMBL20007412 0.84 CTSK (0.41) CTSSCTSK
SCHEMBL20007415 0.80 HSP90AA1 (0.40) AOC3HSP90AA1HSP90AB1MAPTGPR183
SCHEMBL18180269 0.75 CTSS (0.47) CTSSCTSK
SCHEMBL21992683 0.74 HSP90AA1 (0.42) AOC3BACE1HSP90AA1HSP90AB1MAPT
SCHEMBL18181204 0.74 CTSK (0.45) CTSSCTSK
SCHEMBL20007119 0.74 CTSS (0.43) CTSSCTSKBACE1MAPTLMNA
SCHEMBL18180390 0.74 CTSS (0.43) CTSSCTSKBACE1MAPTLMNA
SCHEMBL19962117 0.74 CTSS (0.46) CTSSCTSKBACE1LMNA

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-10221129-B2 Inhibitors of human immunodeficiency virus replication VIIV Healthcare UK (No.5) Limited (GB) 2019-03-05 US disclosed
US-20180086697-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY 2018-03-29 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 (2 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-10221129-B2 Inhibitors of human immunodeficiency virus replication EIF2AK2, POLR2E, POLR2H AOC3 4284/4885CTSS 1470/4885CTSK 2613/4885
US-20180086697-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, POLR2E, POLR2H AOC3 4284/4885CTSS 1470/4885CTSK 2613/4885

“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.