SCHEMBL23899088

SCHEMBL23899088

CC(C)(C)OC(=O)Nc1ccc(CNC(=O)C2CCC(C(=O)NCc3ccc(NC(=O)OC(C)(C)C)cc3)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.53
FPR3 P25089 1/20 0.53
FPR2 P25090 1/20 0.53
CYP17A1 P05093 1/20 0.50
ALDH1A1 P00352 3/20 0.49
LMNA P02545 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
EPHX2 P34913 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
PTPN2 P17706 1/20 0.47
PTPN1 P18031 1/20 0.47
PTPN6 P29350 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
USP2 O75604 1/20 0.47
HPGD P15428 1/20 0.47
NQO2 P16083 1/20 0.46
AURKA O14965 1/20 0.45

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
SCHEMBL23899184 0.90 NAMPT (0.59) NAMPTFPR3FPR2LMNAMEN1
SCHEMBL30182404 0.90 NAMPT (0.59) NAMPTFPR3FPR2LMNAMEN1
SCHEMBL30182518 0.90 NAMPT (0.59) NAMPTFPR3FPR2LMNAMEN1
SCHEMBL2584476 0.89 ALDH1A1 (0.53) NAMPTFPR3FPR2ALDH1A1LMNA
SCHEMBL23898940 0.84 PTPN1 (0.62) NAMPTCYP17A1LMNAMEN1KMT2A
SCHEMBL24891725 0.82 NAMPT (0.52) NAMPTFPR3FPR2ALDH1A1LMNA
SCHEMBL16523129 0.82 CYP17A1 (0.56) NAMPTFPR3FPR2CYP17A1KMT2A
SCHEMBL8245694 0.81 CYP17A1 (0.54) NAMPTFPR3FPR2CYP17A1EPHX2
SCHEMBL24891649 0.81 PTPN2 (0.47) NAMPTFPR3FPR2CYP17A1ALDH1A1
SCHEMBL30182272 0.81 PTPN2 (0.47) NAMPTFPR3FPR2CYP17A1ALDH1A1

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-20210309630-A1 ALLOSTERIC INHIBITOR OF WEE1 KINASE H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2021-10-07 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 (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-20210309630-A1 ALLOSTERIC INHIBITOR OF WEE1 KINASE WEE1, WEE2, PAXBP1 NAMPT 1104/4885FPR3 4844/4885FPR2 4792/4885

“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.