SCHEMBL18670648

SCHEMBL18670648

C#C[C@]1(COC(=O)c2ccc(C)cc2)OC(Cl)C[C@@H]1OC(=O)c1ccc(C)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN1A P35498 1/20 0.38
▸ SCN2A Q99250 1/20 0.38
▸ SCN3A Q9NY46 1/20 0.38
▸ PRKCG P05129 1/20 0.36
▸ PRKCB P05771 1/20 0.36
▸ PRKCA P17252 1/20 0.36
▸ PRKCE Q02156 1/20 0.36
▸ PRKCD Q05655 1/20 0.36
▸ HPGD P15428 1/20 0.35
▸ RAB9A P51151 4/20 0.35
▸ MAPT P10636 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ UPP1 Q16831 1/20 0.34
▸ GAA P10253 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ LGALS9 O00182 1/20 0.32

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
SCHEMBL18670646 1.00 SCN1A (0.38) SCN1ASCN2ASCN3APRKCGPRKCB
SCHEMBL18670654 0.88 HPGD (0.38) SCN1ASCN2ASCN3APRKCGPRKCB
SCHEMBL18670630 0.88 HPGD (0.38) SCN1ASCN2ASCN3APRKCGPRKCB
SCHEMBL18670633 0.85 PRKCA (0.37) SCN1ASCN2ASCN3APRKCGPRKCB
SCHEMBL26135802 0.85 PRKCA (0.37) SCN1ASCN2ASCN3APRKCGPRKCB
SCHEMBL26129664 0.85 PRKCA (0.37) SCN1ASCN2ASCN3APRKCGPRKCB
SCHEMBL18670631 0.85 PRKCA (0.37) SCN1ASCN2ASCN3APRKCGPRKCB
SCHEMBL29678706 0.82 HPGD (0.37) SCN1ASCN2ASCN3APRKCGPRKCB
SCHEMBL31308611 0.80 POLB (0.40) SCN1ASCN2ASCN3APRKCGPRKCB
SCHEMBL29429746 0.80 POLB (0.40) SCN1ASCN2ASCN3APRKCGPRKCB

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 6 patents. 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
US-10953029-B2 4′-Substituted nucleoside reverse transcriptase inhibitors and preparations thereof MERCK SHARP & DOHME CORP. (US) 2021-03-23 — — US disclosed
EP-3352781-B1 4'-SUBSTITUTED NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS AND PREPARATIONS THEREOF MERCK SHARP & DOHME (US) 2020-12-16 — — EP disclosed
US-20190022115-A1 4'-SUBSTITUTED NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS AND PREPARATIONS THEREOF MERCK SHARP & DOHME CORP. (US) 2019-01-24 — — US disclosed
EP-3352781-A2 4'-SUBSTITUTED NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS AND PREPARATIONS THEREOF Merck Sharp & Dohme Corp. (US) 2018-08-01 — — EP disclosed
WO-2017053216-A2 4'-SUBSTITUTED NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS AND PREPARATIONS THEREOF MERCK SHARP & DOHME CORP. (US) 2017-03-30 — — 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 (3 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 SCN1A 3675/4885SCN2A 4303/4885SCN3A 3944/4885
US-20190022115-A1 4'-SUBSTITUTED NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS AND PREPARATIONS THEREOF HPRT1, DUT, SAMHD1 SCN1A 3288/4885SCN2A 4170/4885SCN3A 3813/4885
US-10953029-B2 4′-Substituted nucleoside reverse transcriptase inhibitors and preparations thereof DUT, HPRT1, SAMHD1 SCN1A 3279/4885SCN2A 4142/4885SCN3A 3799/4885

“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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