SCHEMBL25319084

SCHEMBL25319084

CC(C)(C)OC(=O)N[C@@H](CCO)CCC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CTSK P43235 8/20 0.41
ATM Q13315 1/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
CTSS P25774 5/20 0.40
TDP1 Q9NUW8 1/20 0.39
PLA2G2C Q5R387 1/20 0.39
ANPEP P15144 1/20 0.39
ENPEP Q07075 1/20 0.39
CYP2D6 P10635 1/20 0.38

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
SCHEMBL25319090 1.00 CA1 (0.41) CA1CA2CA7CTSKATM
SCHEMBL5691699 0.93 CA1 (0.46) CA1CA2CA7CTSKATM
SCHEMBL3735437 0.90 CA1 (0.49) CA1CA2CA7CTSKATM
SCHEMBL3096508 0.89 CA1 (0.42) CA1CA2CA7CTSKATM
SCHEMBL3462484 0.89 CA1 (0.42) CA1CA2CA7CTSKATM
SCHEMBL2329376 0.89 CA1 (0.42) CA1CA2CA7CTSKATM
SCHEMBL19544923 0.86 TSHR (0.42) CA1CA2CA7CTSKATM
SCHEMBL15376153 0.85 CTSK (0.47) CA1CA2CA7CTSKATM
SCHEMBL18428079 0.85 CA1 (0.42) CA1CA2CA7CTSKATM
SCHEMBL20276859 0.85 CTSK (0.47) CA1CA2CA7CTSKATM

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-20230365529-A1 PARP7 INHIBITORS GILEAD SCIENCES, INC. 2023-11-16 US disclosed
WO-2023147418-A1 PARP7 INHIBITORS GILEAD SCIENCES, INC. (US) 2023-08-03 WO 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-20230365529-A1 PARP7 INHIBITORS PARP1, PARP11, PARP2 CA1 4498/4885CA2 3900/4885CA7 193/4885

“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.