SCHEMBL25836736

SCHEMBL25836736

CC(C)(C)OC(=O)Cn1cnc(CNC(=O)OC(C)(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA9 Q16790 3/20 0.42
CA12 O43570 2/20 0.42
KDM4E B2RXH2 2/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
CA4 P22748 1/20 0.38
CA7 P43166 1/20 0.38
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KDM4A O75164 1/20 0.36
GFER P55789 1/20 0.36
ALDH1A1 P00352 2/20 0.36
NAMPT P43490 2/20 0.35
POLB P06746 1/20 0.34
MAPK1 P28482 1/20 0.34
ATM Q13315 1/20 0.34
STK17B O94768 1/20 0.34
STK17A Q9UEE5 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
SCHEMBL25836754 0.88 CA1 (0.44) CA1CA2CA9CA12KDM4E
SCHEMBL31006001 0.81 KDM4E (0.37) KDM4EL3MBTL1ALDH1A1
SCHEMBL24621004 0.81 KDM4E (0.39) KDM4EALDH1A1
SCHEMBL25836690 0.81 KDM4E (0.46) CA1CA2CA9CA12KDM4E
SCHEMBL23038508 0.80 KDM4E (0.38) KDM4EALDH1A1
SCHEMBL3586455 0.76 ALPL (0.47) KDM4EL3MBTL1ALDH1A1
SCHEMBL21503621 0.75 CA1 (0.42) CA1CA2CA9CA12L3MBTL1
SCHEMBL30057190 0.75 CA1 (0.42) CA1CA2CA9CA12L3MBTL1
SCHEMBL3122071 0.75 ALPL (0.46) KDM4EL3MBTL1ALDH1A1
SCHEMBL25836737 0.74 CYP2D6 (0.39) CA1CA2KDM4ELMNAL3MBTL1

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-20230287009-A1 OXO-SUBSTITUTED COMPOUND Sumitomo Pharma Co., Ltd. (JP) 2023-09-14 US disclosed
US-11702431-B2 Oxo-substituted compound Sumitomo Pharma Co., Ltd. (JP) 2023-07-18 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-11702431-B2 Oxo-substituted compound CYP51A1, OXA1L, O60361 CA1 3379/4885CA2 2029/4885CA9 422/4885
US-20230287009-A1 OXO-SUBSTITUTED COMPOUND CYP51A1, OXA1L, O60361 CA1 3379/4885CA2 2029/4885CA9 422/4885

“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.