SCHEMBL7211702

SCHEMBL7211702

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

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
ALB P02768 1/20 0.53
MAPK1 P28482 1/20 0.53
ADORA3 P0DMS8 4/20 0.50
TYMP P19971 3/20 0.44
STING1 Q86WV6 4/20 0.41
P2RX3 P56373 1/20 0.39
GSK3A P49840 1/20 0.37
RPS6KA3 P51812 1/20 0.37
MAPK14 Q16539 1/20 0.37
HPRT1 P00492 1/20 0.37

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
SCHEMBL9548613 0.90 ALDH1A1 (0.53) ALDH1A1LMNAALBMAPK1ADORA3
SCHEMBL9548617 0.90 ALDH1A1 (0.53) ALDH1A1LMNAALBMAPK1ADORA3
SCHEMBL26135607 0.85 ADORA3 (0.52) ADORA3STING1HPRT1
SCHEMBL26136545 0.85 ADORA3 (0.52) ADORA3STING1HPRT1
SCHEMBL7211319 0.85 ADORA3 (0.52) ADORA3STING1HPRT1
SCHEMBL7216535 0.85 ADORA3 (0.52) ADORA3STING1HPRT1
SCHEMBL31652885 0.85 ADORA3 (0.52) ADORA3STING1HPRT1
SCHEMBL9548750 0.83 ALDH1A1 (0.56) ALDH1A1LMNAALBMAPK1ADORA3
SCHEMBL9548744 0.83 ALDH1A1 (0.56) ALDH1A1LMNAALBMAPK1ADORA3
SCHEMBL17106731 0.83 ADORA3 (0.34) ALDH1A1LMNAALBMAPK1ADORA3

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 14 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
US-20180002366-A1 4'-SUBSTITUTED NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-01-04 US disclosed
US-9777035-B2 4′-substituted nucleoside reverse transcriptase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-10-03 US disclosed
US-9777035-B2 4′-substituted nucleoside reverse transcriptase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-10-03 US disclosed
WO-2017053216-A2 4'-SUBSTITUTED NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS AND PREPARATIONS THEREOF MERCK SHARP & DOHME CORP. (US) 2017-03-30 WO disclosed
WO-2015148746-A1 4'-SUBSTITUTED NUCLEOSIDE-DERIVATIVES AS HIV REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-10-01 WO disclosed
US-20150274767-A1 4'-SUBSTITUTED NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-10-01 US disclosed
US-20150274767-A1 4'-SUBSTITUTED NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-10-01 US disclosed
EP-1177202-B1 4'-C-ETHYNYL PURINE NUCLEOSIDES YAMASA CORP (JP) 2003-09-24 EP disclosed
US-6403568-B1 FOR THERAPY OF ACQUIRED IMMUNODEFICIENCY SYNDROME (AIDS) YAMASA CORPORATION (JP) 2002-06-11 US disclosed
US-20020022722-A1 4'-C-ethynyl pyrimidine nucleoside compounds OHRUI HIROSHI (JP) 2002-02-21 US disclosed
EP-1177202-A1 4'-C-ETHYNYL PURINE NUCLEOSIDES YAMASA CORPORATION (JP) 2002-02-06 EP disclosed
US-6291670-B1 VIRICIDES AGAINST HUMAN IMMUNODEFICIENCY VIRUS AND AIDS (ACQUIRED IMMUNE DEFICIENCY SYNDROME) YAMASA CORPORATION (JP) 2001-09-18 US disclosed
WO-2000069877-A1 4'-C-ETHYNYL PURINE NUCLEOSIDES YAMASA CORPORATION (JP) 2000-11-23 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 (4 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-20020022722-A1 4'-C-ethynyl pyrimidine nucleoside compounds PNP, TYMP, NUDT1 ALDH1A1 1311/4885LMNA 3211/4885ALB 4400/4885
US-20180002366-A1 4'-SUBSTITUTED NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS DUT, HPRT1, RNGTT ALDH1A1 467/4885LMNA 2821/4885ALB 4648/4885
US-20230293526-A1 METHOD FOR TREATING CANCER WITH A REVERSE TRANSCRIPTASE INHIBITOR TYMP, TYMS, DCTD ALDH1A1 833/4885LMNA 3687/4885ALB 2901/4885
US-20150274767-A1 4'-SUBSTITUTED NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS DUT, HPRT1, RNGTT ALDH1A1 467/4885LMNA 2821/4885ALB 4648/4885

“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.