SCHEMBL25139529

SCHEMBL25139529

COC(=O)C(NC(=O)C(C)C)C(C)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 2/20 0.53
MMP8 P22894 2/20 0.53
MMP1 P03956 1/20 0.51
TRPM8 Q7Z2W7 1/20 0.46
CYP2C9 P11712 2/20 0.45
ALDH1A1 P00352 1/20 0.45
THRB P10828 1/20 0.45
CYP2C19 P33261 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MAPT P10636 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CTSL P07711 2/20 0.43
CTSS P25774 2/20 0.43
PSMB5 P28074 1/20 0.43
CTSK P43235 2/20 0.42
PYGL P06737 1/20 0.42
CTSB P07858 1/20 0.42

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
SCHEMBL9556633 0.89 MMP9 (0.55) MMP9MMP8MMP1CYP2C9ALDH1A1
SCHEMBL25139519 0.89 MMP9 (0.55) MMP9MMP8MMP1CYP2C9ALDH1A1
SCHEMBL30751663 0.87 MMP9 (0.53) MMP9MMP8MMP1TRPM8ALDH1A1
SCHEMBL24814077 0.87 MMP9 (0.53) MMP9MMP8MMP1TRPM8ALDH1A1
SCHEMBL25139424 0.86 MMP1 (0.62) MMP9MMP8MMP1CYP2C9CYP2C19
SCHEMBL5196368 0.86 TRPM8 (0.58) MMP9MMP8TRPM8CYP2C9ALDH1A1
SCHEMBL19602425 0.84 MMP9 (0.52) MMP9MMP8MMP1TRPM8CYP2C9
SCHEMBL21663901 0.83 MMP1 (0.47) MMP9MMP8MMP1TRPM8CYP2C9
SCHEMBL9545042 0.82 KLK5 (0.54) MMP9MMP8TRPM8MAPTMEN1
SCHEMBL24814238 0.82 KLK5 (0.54) MMP9MMP8TRPM8MAPTMEN1

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-20230121337-A1 CDK2 INHIBITORS AND METHODS OF USING THE SAME CEDILLA THERAPEUTICS, INC. 2023-04-20 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-20230121337-A1 CDK2 INHIBITORS AND METHODS OF USING THE SAME CDK2, CDK20, CDK2AP2 MMP9 2168/4885MMP8 2372/4885MMP1 3506/4885

“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.