SCHEMBL21026059

SCHEMBL21026059

CSC(=O)COCCCCCNC(C)C

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.39
ALDH1A1 P00352 4/20 0.39
CES2 O00748 2/20 0.37
NPSR1 Q6W5P4 1/20 0.36
CYP2C19 P33261 3/20 0.35
CYP1A2 P05177 2/20 0.33
CYP2D6 P10635 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
EPHX2 P34913 1/20 0.33
ADRB2 P07550 1/20 0.33
HRH3 Q9Y5N1 2/20 0.32
MEN1 O00255 1/20 0.32
CYP2C9 P11712 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL20330477 0.90 KDM4E (0.36) KDM4EALDH1A1CYP2C19CYP1A2CYP2D6
SCHEMBL24856105 0.85 KDM4E (0.43) KDM4EALDH1A1CYP2C19CYP1A2CYP2D6
SCHEMBL20206305 0.85 KDM4E (0.43) KDM4EALDH1A1CYP2C19CYP1A2CYP2D6
SCHEMBL25122859 0.85 KDM4E (0.43) KDM4EALDH1A1CYP2C19CYP1A2CYP2D6
SCHEMBL24897599 0.83 CYP2C19 (0.49) KDM4EALDH1A1CES2NPSR1CYP2C19
SCHEMBL24654423 0.83 CES2 (0.56) KDM4EALDH1A1CES2NPSR1CYP2C19
SCHEMBL22374683 0.83 MEN1 (0.33) KDM4EALDH1A1CES2CYP2C19EPHX2
SCHEMBL21664802 0.81 KDM4E (0.40) KDM4EALDH1A1CES2NPSR1CYP2C19
SCHEMBL19599821 0.81 KDM4E (0.40) KDM4EALDH1A1CES2NPSR1CYP2C19
SCHEMBL22006738 0.81 CES2 (0.40) KDM4ECES2CYP2C19EPHX2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11666661-B2 Methods and compounds for targeted autophagy THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-06-06 US disclosed
US-11161841-B2 Modulators of proteolysis and associated methods of use ARVINAS OPERATIONS, INC. (US) 2021-11-02 US disclosed
US-11065231-B2 Compounds and methods for the targeted degradation of interleukin-1 receptor- associated kinase 4 polypeptides ARVINAS OPERATIONS, INC. (US) 2021-07-20 US disclosed
US-20190315732-A1 MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. 2019-10-17 US disclosed
US-20190290778-A1 METHODS AND COMPOUNDS FOR TARGETED AUTOPHAGY FRONTIER MEDICINES CORPORATION 2019-09-26 US disclosed
US-20190151295-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE 4 POLYPEPTIDES ARVINAS OPERATIONS, INC. 2019-05-23 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 (6 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-20190151295-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE 4 POLYPEPTIDES IRAK1, IRAK4, IRAK2 KDM4E 1071/4885ALDH1A1 2896/4885CES2 4048/4885
US-11065231-B2 Compounds and methods for the targeted degradation of interleukin-1 receptor- associated kinase 4 polypeptides IRAK1, IRAK4, IRAK2 KDM4E 1071/4885ALDH1A1 2896/4885CES2 4048/4885
US-20190315732-A1 MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE MDM2, CRBN, VHL KDM4E 2053/4885ALDH1A1 2958/4885CES2 3114/4885
US-20190290778-A1 METHODS AND COMPOUNDS FOR TARGETED AUTOPHAGY ATG7, BECN1, SQSTM1 KDM4E 3016/4885ALDH1A1 4188/4885CES2 2984/4885
US-11666661-B2 Methods and compounds for targeted autophagy ATG7, BECN1, SQSTM1 KDM4E 3016/4885ALDH1A1 4188/4885CES2 2984/4885
US-11161841-B2 Modulators of proteolysis and associated methods of use MDM2, CRBN, VHL KDM4E 2053/4885ALDH1A1 2958/4885CES2 3114/4885

“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.