SCHEMBL22869327

SCHEMBL22869327

CC(=O)[C@H]1C[C@@H]1C(=O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
F2 P00734 2/20 0.50
TSHR P16473 2/20 0.49
FABP7 O15540 1/20 0.49
FABP5 Q01469 1/20 0.49
CPB1 P15086 1/20 0.48
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP1A2 P05177 1/20 0.47
POLB P06746 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47

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
SCHEMBL29034926 1.00 ALDH1A1 (0.58) ALDH1A1F2TSHRFABP7FABP5
SCHEMBL17947657 0.87 CPB1 (0.61) ALDH1A1F2TSHRFABP7FABP5
SCHEMBL12986807 0.86 ALDH1A1 (0.56) ALDH1A1F2TSHRFABP7FABP5
SCHEMBL12986806 0.86 ALDH1A1 (0.56) ALDH1A1F2TSHRFABP7FABP5
SCHEMBL25245808 0.86 ALDH1A1 (0.56) ALDH1A1F2TSHRFABP7FABP5
SCHEMBL16117465 0.86 TSHR (0.56) ALDH1A1F2TSHRFABP7FABP5
SCHEMBL1838935 0.85 ALDH1A1 (0.55) ALDH1A1F2TSHRFABP7FABP5
SCHEMBL1838938 0.85 ALDH1A1 (0.55) ALDH1A1F2TSHRFABP7FABP5
SCHEMBL18562168 0.83 ALDH1A1 (0.56) ALDH1A1F2TSHRFABP7FABP5
SCHEMBL23790281 0.83 CPB1 (0.51) ALDH1A1F2TSHRFABP7FABP5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3759096-B1 CD73 INHIBITORS LILLY CO ELI (US) 2022-02-16 EP disclosed
US-11028074-B2 CD73 inhibitors ELI LILLY AND COMPANY (US) 2021-06-08 US disclosed
US-20210002257-A1 CD73 INHIBITORS ELI LILLY AND COMPANY 2021-01-07 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-11028074-B2 CD73 inhibitors ENTPD5, NT5E, ENTPD1 ALDH1A1 280/4885F2 4757/4885TSHR 1601/4885
US-20210002257-A1 CD73 INHIBITORS ENTPD5, NT5E, ENTPD1 ALDH1A1 280/4885F2 4757/4885TSHR 1601/4885

“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.