SCHEMBL21836409

SCHEMBL21836409

COc1cccc2c(CC(NC(C)c3ccccc3)C(C)(C)C)coc12

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 5/20 0.48
PSMB8 P28062 1/20 0.48
PTGIR P43119 10/20 0.40
TBXA2R P21731 7/20 0.40
OPRK1 P41145 1/20 0.38
TACR1 P25103 1/20 0.35
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
LMNA P02545 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 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
SCHEMBL21836406 1.00 PSMB5 (0.48) PSMB5PSMB8PTGIRTBXA2ROPRK1
SCHEMBL21836365 0.87 PSMB5 (0.49) PSMB5PSMB8PTGIRTBXA2ROPRK1
SCHEMBL21836367 0.87 PSMB5 (0.49) PSMB5PSMB8PTGIRTBXA2ROPRK1
SCHEMBL21836378 0.79 PSMB5 (0.48) PSMB5PSMB8PTGIRTBXA2RALDH1A1
SCHEMBL21836380 0.79 PSMB5 (0.48) PSMB5PSMB8PTGIRTBXA2RALDH1A1
SCHEMBL21836362 0.77 PIN1 (0.44) PSMB5ALDH1A1HPGDMEN1KMT2A
SCHEMBL21836364 0.77 PIN1 (0.44) PSMB5ALDH1A1HPGDMEN1KMT2A
SCHEMBL21836303 0.75 PSMB5 (0.47) PSMB5PSMB8PTGIRTBXA2RALDH1A1
SCHEMBL21836305 0.75 PSMB5 (0.47) PSMB5PSMB8PTGIRTBXA2RALDH1A1
SCHEMBL7959352 0.75 PSMB5 (0.51) PSMB5PSMB8PTGIRTBXA2RALDH1A1

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
US-11377450-B2 Functionalized heterocycles as antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2022-07-05 US disclosed
US-20210115060-A1 FUNCTIONALIZED HETEROCYCLES AS ANTIVIRAL AGENTS ENANTA PHARM INC (US) 2021-04-22 US disclosed
US-10865211-B2 Functionalized heterocycles as antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2020-12-15 US disclosed
US-20200095258-A1 FUNCTIONALIZED HETEROCYCLES AS ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2020-03-26 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 (4 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-11377450-B2 Functionalized heterocycles as antiviral agents HCCS, HAVCR2, HDGF PSMB5 293/4885PSMB8 1331/4885PTGIR 3098/4885
US-10865211-B2 Functionalized heterocycles as antiviral agents HCCS, HAVCR2, HDGF PSMB5 293/4885PSMB8 1331/4885PTGIR 3098/4885
US-20210115060-A1 FUNCTIONALIZED HETEROCYCLES AS ANTIVIRAL AGENTS HCCS, HAVCR2, HDGF PSMB5 293/4885PSMB8 1331/4885PTGIR 3098/4885
US-20200095258-A1 FUNCTIONALIZED HETEROCYCLES AS ANTIVIRAL AGENTS HCCS, HAVCR2, HDGF PSMB5 293/4885PSMB8 1331/4885PTGIR 3098/4885

“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.