SCHEMBL5477125

SCHEMBL5477125

CC1(C)O[C@H]2O[C@H](COCc3ccccc3)[C@H](O)[C@H]2O1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.53
ALDH1A1 P00352 3/20 0.49
SLC6A2 P23975 1/20 0.42
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
TACR2 P21452 1/20 0.40
HSPA5 P11021 1/20 0.38

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
SCHEMBL21756599 1.00 HPGD (0.53) HPGDALDH1A1SLC6A2MEN1POLB
SCHEMBL14414850 1.00 HPGD (0.53) HPGDALDH1A1SLC6A2MEN1POLB
SCHEMBL14414818 1.00 HPGD (0.53) HPGDALDH1A1SLC6A2MEN1POLB
SCHEMBL5470533 1.00 HPGD (0.53) HPGDALDH1A1SLC6A2MEN1POLB
SCHEMBL1130657 0.87 ALDH1A1 (0.60) HPGDALDH1A1POLBTACR2
SCHEMBL19588714 0.87 ALDH1A1 (0.60) HPGDALDH1A1POLBTACR2
SCHEMBL2623390 0.87 ALDH1A1 (0.60) HPGDALDH1A1POLBTACR2
SCHEMBL10819414 0.87 ALDH1A1 (0.60) HPGDALDH1A1POLBTACR2
SCHEMBL2614786 0.87 ALDH1A1 (0.60) HPGDALDH1A1POLBTACR2
SCHEMBL24681013 0.86 ALDH1A1 (0.47) HPGDALDH1A1SLC6A2TACR2

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
EP-3873484-B1 NOVEL STING AGONISTS VENENUM BIODESIGN LLC (US) 2023-08-23 EP disclosed
EP-3873484-B1 NOVEL STING AGONISTS VENENUM BIODESIGN LLC (US) 2023-08-23 EP disclosed
US-20220048936-A1 NOVEL STING AGONISTS Venenum Biodesign, LLC (US) 2022-02-17 US disclosed
US-11161864-B2 Sting agonists Venenum Biodesign, LLC (US) 2021-11-02 US disclosed
US-11161864-B2 Sting agonists Venenum Biodesign, LLC (US) 2021-11-02 US disclosed
US-20200131209-A1 NOVEL STING AGONISTS Venenum Biodesign, LLC 2020-04-30 US disclosed
US-20200131209-A1 NOVEL STING AGONISTS Venenum Biodesign, LLC 2020-04-30 US disclosed
US-20070225246-A1 O-acetyl-ADP-ribose non-hydrolyzable analogs NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-09-27 US disclosed
US-6120997-A LIBRARY OF COMPOUNDS WHICH INHIBIT PROTEIN SYNTHESIS THE SCRIPPS RESEARCH INSTITUTE (US) 2000-09-19 US disclosed
EP-0394893-B1 Purinyl and pyrimidinyl tetrahydrofurans SQUIBB & SONS INC (US) 1994-06-29 EP disclosed
US-5145960-A Viricides E. R. SQUIBB & SONS, INC. (US) 1992-09-08 US disclosed
US-5059690-A Viricides E. R. SQUIBB & SONS, INC. (US) 1991-10-22 US disclosed
EP-0394893-A2 Purinyl and pyrimidinyl tetrahydrofurans E.R. SQUIBB & SONS, INC. (US) 1990-10-31 EP disclosed
EP-0391411-A2 3'-Substituted methyl nucleosides as antiviral agents Bristol-Myers Squibb Company (US) 1990-10-10 EP 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-20070225246-A1 O-acetyl-ADP-ribose non-hydrolyzable analogs PARP1, TIPARP, CD38 HPGD 231/4885ALDH1A1 1110/4885SLC6A2 4832/4885
US-20200131209-A1 NOVEL STING AGONISTS STING1, CGAS, TBK1 HPGD 3904/4885ALDH1A1 4836/4885SLC6A2 1814/4885
US-11161864-B2 Sting agonists STING1, IRF3, CGAS HPGD 3917/4885ALDH1A1 4840/4885SLC6A2 1553/4885
US-20220048936-A1 NOVEL STING AGONISTS STING1, IRF3, CGAS HPGD 3887/4885ALDH1A1 4812/4885SLC6A2 1691/4885

“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.