SCHEMBL18688498

SCHEMBL18688498

Cc1ccc(C(=O)OC[C@@]2(C)OC(O)C[C@@H]2OC(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.44
▸ SCN1A P35498 1/20 0.39
▸ SCN2A Q99250 1/20 0.39
▸ SCN3A Q9NY46 1/20 0.39
▸ RAB9A P51151 4/20 0.39
▸ MAPT P10636 3/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ LGALS9 O00182 1/20 0.38
▸ LGALS1 P09382 1/20 0.38
▸ LGALS3 P17931 1/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ 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
▸ TDP1 Q9NUW8 1/20 0.36
▸ TRPV1 Q8NER1 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
SCHEMBL24063583 0.89 GAA (0.43) NPC1ALDH1A1TDP1LMNAGAA
SCHEMBL23409157 0.84 HPGD (0.39) HPGDSCN1ASCN2ASCN3ARAB9A
SCHEMBL18670630 0.82 HPGD (0.38) HPGDSCN1ASCN2ASCN3ARAB9A
SCHEMBL18670654 0.82 HPGD (0.38) HPGDSCN1ASCN2ASCN3ARAB9A
SCHEMBL29678706 0.74 HPGD (0.37) HPGDSCN1ASCN2ASCN3ARAB9A
SCHEMBL26121817 0.73 PRKCG (0.37) HPGDSCN1ASCN2ASCN3ARAB9A
SCHEMBL26121824 0.73 PRKCG (0.37) HPGDSCN1ASCN2ASCN3ARAB9A
SCHEMBL38654948 0.73 RAB9A (0.45) HPGDSCN1ASCN2ASCN3ARAB9A
SCHEMBL18670646 0.72 SCN1A (0.38) HPGDSCN1ASCN2ASCN3ARAB9A
SCHEMBL18670648 0.72 SCN1A (0.38) HPGDSCN1ASCN2ASCN3ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10953029-B2 4′-Substituted nucleoside reverse transcriptase inhibitors and preparations thereof MERCK SHARP & DOHME CORP. (US) 2021-03-23 — — US disclosed
US-20190022115-A1 4'-SUBSTITUTED NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS AND PREPARATIONS THEREOF MERCK SHARP & DOHME CORP. (US) 2019-01-24 — — US 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 (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-20190022115-A1 4'-SUBSTITUTED NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS AND PREPARATIONS THEREOF HPRT1, DUT, SAMHD1 HPGD 738/4885SCN1A 3288/4885SCN2A 4170/4885
US-10953029-B2 4′-Substituted nucleoside reverse transcriptase inhibitors and preparations thereof DUT, HPRT1, SAMHD1 HPGD 758/4885SCN1A 3279/4885SCN2A 4142/4885

“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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