SCHEMBL26558133

SCHEMBL26558133

COC(=O)O[C@@H]1[C@@H](COC(=O)OCc2ccccc2)OC(=O)[C@@]1(C)O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 4/20 0.38
CYP3A4 P08684 6/20 0.37
TSHR P16473 5/20 0.37
CYP2C9 P11712 4/20 0.37
ALDH1A1 P00352 4/20 0.37
CYP2C19 P33261 3/20 0.37
CYP1A2 P05177 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 2/20 0.37
LMNA P02545 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CASP1 P29466 1/20 0.36
CTSL P07711 2/20 0.36
CTSS P25774 2/20 0.36
CTSK P43235 2/20 0.36
LGALS8 O00214 1/20 0.35

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
SCHEMBL26558150 0.96 NAAA (0.38) NAAACYP3A4TSHRCYP2C9ALDH1A1
SCHEMBL26557776 0.94 ALDH1A1 (0.38) NAAACYP3A4CYP2C9ALDH1A1CYP2C19
SCHEMBL26558168 0.86 TSHR (0.42) NAAACYP3A4TSHRALDH1A1SMN1; SMN2
SCHEMBL26558186 0.86 TSHR (0.42) NAAACYP3A4TSHRALDH1A1SMN1; SMN2
SCHEMBL26558110 0.86 ALDH1A1 (0.37) NAAATSHRALDH1A1MEN1KMT2A
SCHEMBL26558100 0.85 ALDH1A1 (0.36) NAAAALDH1A1MEN1KMT2AHSD17B10
SCHEMBL26557819 0.85 SMN1; SMN2 (0.33) SMN1; SMN2
SCHEMBL26558114 0.84 ALDH1A1 (0.35) NAAACYP3A4TSHRCYP2C9ALDH1A1
SCHEMBL26558052 0.84 FABP7 (0.40) CYP3A4ALDH1A1CYP2C19
SCHEMBL26566121 0.82 ALDH1A1 (0.38) NAAACYP3A4CYP2C9ALDH1A1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230331751-A1 STEREOSELECTIVE MANUFACTURE OF SELECTED PURINE PHOSPHORAMIDATES Atea Pharmaceuticals, Inc. (US) 2023-10-19 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-20230331751-A1 STEREOSELECTIVE MANUFACTURE OF SELECTED PURINE PHOSPHORAMIDATES NUDT1, PNP, ATIC NAAA 489/4885CYP3A4 1370/4885TSHR 3475/4885

“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.