SCHEMBL25762158

SCHEMBL25762158

CC(C)CN(CC(=O)O)C(=O)OCOP(=O)(O)O

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MVD P53602 2/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
PGK1 P00558 1/20 0.33
PGK2 P07205 1/20 0.33
PGD P52209 1/20 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
SCHEMBL25762731 0.85 KDM4C (0.34) MVDCA12CA1CA2CA9
SCHEMBL25614399 0.84 MMP1 (0.37) MVDPGK1PGK2
SCHEMBL26178813 0.80 KDM4C (0.35)
SCHEMBL25019697 0.79 CA12 (0.33) MVDCA12CA1CA2CA9
SCHEMBL25762156 0.75 KDM4C (0.33) CA12CA1CA2CA9
SCHEMBL25788481 0.73 CHRNB2 (0.40) PGK1PGK2
SCHEMBL25614400 0.72 ALDH1A1 (0.42) MVD
SCHEMBL2862223 0.70 CA1 (0.38) CA12CA1CA2CA9
SCHEMBL25787113 0.70 KDM4C (0.35)
SCHEMBL6581785 0.70 ALDH1A1 (0.47)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230203071-A1 THERAPEUTIC COMPOUNDS FOR HIV VIRUS INFECTION GILEAD SCIENCES, INC. 2023-06-29 US disclosed
US-20230203071-A1 THERAPEUTIC COMPOUNDS FOR HIV VIRUS INFECTION GILEAD SCIENCES, INC. 2023-06-29 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 (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-20230203071-A1 THERAPEUTIC COMPOUNDS FOR HIV VIRUS INFECTION HAVCR2, MAVS, CD4 MVD 1217/4885CA12 4230/4885CA1 4775/4885

“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.