SCHEMBL9548744

SCHEMBL9548744

C[C@]1(CO)O[C@@H](n2cnc3c(=O)[nH]cnc32)C[C@@H]1O

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.56
LMNA P02545 1/20 0.56
ALB P02768 1/20 0.56
MAPK1 P28482 1/20 0.56
ADORA3 P0DMS8 4/20 0.53
TYMP P19971 3/20 0.47
STING1 Q86WV6 4/20 0.43
P2RX3 P56373 1/20 0.42
HPRT1 P00492 1/20 0.39
GSK3A P49840 1/20 0.39
RPS6KA3 P51812 1/20 0.39
MAPK14 Q16539 1/20 0.39

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
SCHEMBL9548750 1.00 ALDH1A1 (0.56) ALDH1A1LMNAALBMAPK1ADORA3
SCHEMBL9548662 0.84 ADORA3 (0.56) ADORA3STING1HPRT1
SCHEMBL9548656 0.84 ADORA3 (0.56) ADORA3STING1HPRT1
SCHEMBL9548613 0.83 ALDH1A1 (0.53) ALDH1A1LMNAALBMAPK1ADORA3
SCHEMBL9548617 0.83 ALDH1A1 (0.53) ALDH1A1LMNAALBMAPK1ADORA3
SCHEMBL7211702 0.83 ALDH1A1 (0.53) ALDH1A1LMNAALBMAPK1ADORA3
SCHEMBL9548853 0.82 ALDH1A1 (0.49) ALDH1A1LMNAALBMAPK1ADORA3
SCHEMBL19412773 0.81 ADORA3 (0.36) ALDH1A1LMNAALBMAPK1ADORA3
SCHEMBL19412753 0.80 ADORA3 (0.35) ALDH1A1LMNAALBMAPK1ADORA3
SCHEMBL9548782 0.80 SLC28A1 (0.56) MAPK1ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230293526-A1 METHOD FOR TREATING CANCER WITH A REVERSE TRANSCRIPTASE INHIBITOR PRIMEFOUR THERAPEUTICS, INC. 2023-09-21 US disclosed
WO-2022256625-A1 LINE-1 INHIBITORS AS COGNITIVE ENHANCERS TRANSPOSON THERAPEUTICS, INC. (US) 2022-12-08 WO disclosed
US-20210154221-A1 4'-SUBSTITUTED NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS AND PREPARATIONS THEREOF MERCK SHARP & DOHME CORP. (US) 2021-05-27 US disclosed
US-9777035-B2 4′-substituted nucleoside reverse transcriptase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-10-03 US disclosed
US-5192749-A Viricide, AIDS SYNTEX (U.S.A.) INC. (US) 1993-03-09 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 (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-20210154221-A1 4'-SUBSTITUTED NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS AND PREPARATIONS THEREOF HPRT1, SAMHD1, DUT ALDH1A1 433/4885LMNA 2288/4885ALB 4566/4885
US-20230293526-A1 METHOD FOR TREATING CANCER WITH A REVERSE TRANSCRIPTASE INHIBITOR TYMP, TYMS, DCTD ALDH1A1 833/4885LMNA 3687/4885ALB 2901/4885

“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.