SCHEMBL23409157

SCHEMBL23409157

CC(=O)OC1C[C@H](OC(=O)c2ccc(C)cc2)[C@@](C)(COC(=O)c2ccc(C)cc2)O1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.39
▸ PRKCG P05129 1/20 0.38
▸ PRKCB P05771 1/20 0.38
▸ PRKCA P17252 1/20 0.38
▸ PRKCE Q02156 1/20 0.38
▸ PRKCD Q05655 1/20 0.38
▸ ABCB1 P08183 6/20 0.37
▸ SCN1A P35498 1/20 0.37
▸ SCN2A Q99250 1/20 0.37
▸ SCN3A Q9NY46 1/20 0.37
▸ RAB9A P51151 4/20 0.37
▸ NPC1 O15118 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ KMT2A Q03164 1/20 0.36

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
SCHEMBL26121824 0.86 PRKCG (0.37) HPGDPRKCGPRKCBPRKCAPRKCE
SCHEMBL26121817 0.86 PRKCG (0.37) HPGDPRKCGPRKCBPRKCAPRKCE
SCHEMBL18688498 0.84 HPGD (0.44) HPGDPRKCGPRKCBPRKCAPRKCE
SCHEMBL18670631 0.84 PRKCA (0.37) HPGDPRKCGPRKCBPRKCAPRKCE
SCHEMBL26129664 0.84 PRKCA (0.37) HPGDPRKCGPRKCBPRKCAPRKCE
SCHEMBL26135802 0.84 PRKCA (0.37) HPGDPRKCGPRKCBPRKCAPRKCE
SCHEMBL18670633 0.84 PRKCA (0.37) HPGDPRKCGPRKCBPRKCAPRKCE
SCHEMBL29678404 0.76 PRKCA (0.36) HPGDPRKCGPRKCBPRKCAPRKCE
SCHEMBL24063583 0.73 GAA (0.43) ABCB1NPC1ALDH1A1
SCHEMBL18688500 0.72 PRKCA (0.38) HPGDPRKCGPRKCBPRKCAPRKCE

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-20210154221-A1 4'-SUBSTITUTED NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS AND PREPARATIONS THEREOF MERCK SHARP & DOHME CORP. (US) 2021-05-27 — — 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-20210154221-A1 4'-SUBSTITUTED NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS AND PREPARATIONS THEREOF HPRT1, SAMHD1, DUT HPGD 747/4885PRKCG 4177/4885PRKCB 4191/4885

“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.

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