SCHEMBL19412683

SCHEMBL19412683

CO[C@H](CO)[C@@H](N)Cn1cc(C)c(=O)[nH]c1=O

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 4/20 0.53
▸ MAPK1 P28482 1/20 0.43
▸ TK1 P04183 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ GRIA1 P42261 4/20 0.40
▸ GRIA2 P42262 4/20 0.40
▸ GRIA4 P48058 4/20 0.40
▸ GRIK5 Q16478 4/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ BLM P54132 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ GRIA3 P42263 1/20 0.40

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
SCHEMBL22815058 0.86 TYMP (0.55) TYMPMAPK1TK1HPGD
SCHEMBL12956863 0.83 TYMP (0.52) TYMPMAPK1TK1HPGD
SCHEMBL21100307 0.82 TYMP (0.51) TYMPMAPK1TK1HPGD
SCHEMBL21783544 0.81 TYMP (0.50) TYMPMAPK1TK1HPGD
SCHEMBL7139453 0.77 TYMP (0.60) TYMPMAPK1TK1HPGD
SCHEMBL11472001 0.77 TYMP (0.60) TYMPMAPK1TK1HPGD
SCHEMBL11472495 0.77 TYMP (0.60) TYMPMAPK1TK1HPGD
SCHEMBL14944874 0.76 TYMP (0.57) TYMPMAPK1TK1HPGDGRIA1
SCHEMBL13498244 0.76 TYMP (0.50) TYMPMAPK1HPGD
SCHEMBL23873105 0.75 TYMP (0.58) TYMPMAPK1TK1HPGD

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-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
US-20190022115-A1 4'-SUBSTITUTED NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS AND PREPARATIONS THEREOF MERCK SHARP & DOHME CORP. (US) 2019-01-24 — — US disclosed
US-9777035-B2 4′-substituted nucleoside reverse transcriptase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-10-03 — — 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 (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 TYMP 9/4885MAPK1 2071/4885TK1 104/4885
US-20190022115-A1 4'-SUBSTITUTED NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS AND PREPARATIONS THEREOF HPRT1, DUT, SAMHD1 TYMP 8/4885MAPK1 1897/4885TK1 88/4885
US-10953029-B2 4′-Substituted nucleoside reverse transcriptase inhibitors and preparations thereof DUT, HPRT1, SAMHD1 TYMP 7/4885MAPK1 1908/4885TK1 81/4885

“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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