SCHEMBL24829166

SCHEMBL24829166

CCC(CC)COC(=O)OC[C@H]1O[C@@H](n2ccc(NO)nc2=O)[C@@H]2OC(=O)O[C@@H]21

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RY6 Q15077 9/20 0.39
P2RY2 P41231 7/20 0.39
P2RY4 P51582 6/20 0.39
ALDH1A1 P00352 2/20 0.36
P2RY14 Q15391 2/20 0.35
P2RY12 Q9H244 1/20 0.35
HTT P42858 1/20 0.35
NT5E P21589 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
SCHEMBL24829093 0.91 P2RY6 (0.40) P2RY6P2RY2P2RY4ALDH1A1P2RY14
SCHEMBL24828912 0.91 P2RY6 (0.44) P2RY6P2RY2P2RY4ALDH1A1P2RY14
SCHEMBL24829129 0.90 P2RY6 (0.42) P2RY6P2RY2P2RY4ALDH1A1P2RY14
SCHEMBL24829131 0.89 P2RY6 (0.39) P2RY6P2RY2P2RY4ALDH1A1P2RY14
SCHEMBL24828984 0.89 P2RY6 (0.39) P2RY6P2RY2P2RY4ALDH1A1P2RY14
SCHEMBL24829180 0.89 P2RY6 (0.39) P2RY6P2RY2P2RY4ALDH1A1P2RY14
SCHEMBL24829130 0.89 P2RY6 (0.39) P2RY6P2RY2P2RY4ALDH1A1P2RY14
SCHEMBL24829127 0.89 P2RY6 (0.39) P2RY6P2RY2P2RY4ALDH1A1P2RY14
SCHEMBL24829151 0.88 P2RY6 (0.41) P2RY6P2RY2P2RY4ALDH1A1P2RY14
SCHEMBL24829508 0.88 P2RY6 (0.41) P2RY6P2RY2P2RY4ALDH1A1P2RY14

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-20230190782-A1 NUCLEOSIDE DERIVATIVES AND METHODS OF USE THEREOF ASCLETIS BIOSCIENCE CO., LTD. (CN) 2023-06-22 US disclosed
US-11541071-B1 Nucleoside derivatives and methods of use thereof Ascletis BioScience Co., Ltd (CN) 2023-01-03 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 (2 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-20230190782-A1 NUCLEOSIDE DERIVATIVES AND METHODS OF USE THEREOF TYMP, NUDT1, PNP P2RY6 731/4885P2RY2 1449/4885P2RY4 657/4885
US-11541071-B1 Nucleoside derivatives and methods of use thereof TYMP, NUDT1, PNP P2RY6 731/4885P2RY2 1449/4885P2RY4 657/4885

“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.