SCHEMBL26558457

SCHEMBL26558457

C[C@]1(F)C(O)O[C@H](COC(=O)OCc2ccccc2)[C@H]1OC(=O)OCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
ALDH1A1 P00352 6/20 0.38
CYP3A4 P08684 2/20 0.37
LGALS8 O00214 1/20 0.37
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 3/20 0.36
TSHR P16473 2/20 0.36
MAPK1 P28482 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A3 Q01959 1/20 0.35
KMT2A Q03164 1/20 0.35
TACR2 P21452 1/20 0.34
P2RX1 P51575 1/20 0.34
P2RX3 P56373 1/20 0.34
P2RX4 Q99571 1/20 0.34

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
SCHEMBL26557795 1.00 CYP2C9 (0.40) CYP2C9CYP2C19ALDH1A1CYP3A4LGALS8
SCHEMBL26242360 1.00 CYP2C9 (0.40) CYP2C9CYP2C19ALDH1A1CYP3A4LGALS8
SCHEMBL26037726 0.91 LGALS8 (0.43) ALDH1A1CYP3A4LGALS8TDP1TSHR
SCHEMBL26037732 0.91 LGALS8 (0.43) ALDH1A1CYP3A4LGALS8TDP1TSHR
SCHEMBL26557802 0.88 CYP2C9 (0.40) CYP2C9CYP2C19ALDH1A1CYP3A4LGALS8
SCHEMBL26565772 0.86 CYP2C19 (0.41) CYP2C9CYP2C19ALDH1A1CYP3A4LGALS8
SCHEMBL26242260 0.81 ALDH1A1 (0.38) CYP2C9CYP2C19ALDH1A1CYP3A4MAPT
SCHEMBL26566231 0.79 CYP2C19 (0.40) CYP2C9CYP2C19ALDH1A1CYP3A4LGALS8
SCHEMBL26566191 0.79 CYP2C19 (0.40) CYP2C9CYP2C19ALDH1A1CYP3A4LGALS8
SCHEMBL1844448 0.79 ALDH1A1 (0.50) ALDH1A1MAPTTDP1MAPK1SLC6A2

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 CYP2C9 906/4885CYP2C19 1262/4885ALDH1A1 946/4885

“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.