SCHEMBL5077985

SCHEMBL5077985

CC(C)(C)C(=O)SCCOP(=O)(O)OCCSC(=O)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
MVD P53602 2/20 0.39
BTN3A1 O00481 1/20 0.31
LPAR3 Q9UBY5 3/20 0.31
LPAR1 Q92633 2/20 0.31
LPAR2 Q9HBW0 2/20 0.31

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
Hydrochloric Acid SCHEMBL28609025 0.98 CA12 (0.39) CA12CA1CA2CA9MVD
SCHEMBL28587893 0.90 CA12 (0.41) CA12CA1CA2CA9MVD
SCHEMBL19206446 0.87 LPAR3 (0.35) CA12CA1CA2CA9MVD
SCHEMBL14086322 0.85 CA12 (0.40) CA12CA1CA2CA9
SCHEMBL15634387 0.83 CA12 (0.39) CA12CA1CA2CA9
SCHEMBL25821319 0.83 CA12 (0.39) CA12CA1CA2CA9
SCHEMBL17036885 0.81 CA12 (0.44) CA12CA1CA2CA9
SCHEMBL15833170 0.81 CA12 (0.44) CA12CA1CA2CA9
SCHEMBL26297735 0.80 CA12 (0.38) CA12CA1CA2CA9
SCHEMBL13656413 0.80 CA12 (0.38) CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107148423-B Thionucleoside derivative or salt thereof and pharmaceutical composition 富士胶片株式会社 2021-07-30 CN claimed
CN-107148423-B Thionucleoside derivative or salt thereof and pharmaceutical composition 富士胶片株式会社 2021-07-30 CN disclosed
US-7468357-B2 Nucleosides with anti-hepatitis B virus activity EMORY UNIVERSITY (US) 2008-12-23 US disclosed
EP-0831852-B1 NUCLEOSIDES WITH ANTI-HEPATITIS B VIRUS ACTIVITY UNIV EMORY (US) 2006-11-29 EP disclosed
EP-1655033-A1 Nucleosides with anti-hepatitis B virus activity Emory University (US) 2006-05-10 EP disclosed
US-20020107221-A1 Nucleosides with anti-hepatitis B virus activity SCHINAZI RAYMOND F (US) 2002-08-08 US disclosed
US-6245749-B1 TIME-RELEASE INJECTION OF 2*,3*-DIDEOXYADENOSINE EMORY UNIVERSITY 2001-06-12 US disclosed
EP-0831852-A1 NUCLEOSIDES WITH ANTI-HEPATITIS B VIRUS ACTIVITY EMORY UNIVERSITY (US) 1998-04-01 EP disclosed
WO-1996040164-A1 NUCLEOSIDES WITH ANTI-HEPATITIS B VIRUS ACTIVITY EMORY UNIVERSITY (US) 1996-12-19 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 (1 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-20020107221-A1 Nucleosides with anti-hepatitis B virus activity PNP, ADA, TYMP CA12 4491/4885CA1 4617/4885CA2 4771/4885

“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.