SCHEMBL20330002

SCHEMBL20330002

COCCOCC(=O)NI

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.42
AKT1 P31749 1/20 0.36
TSHR P16473 2/20 0.35
HPGD P15428 1/20 0.35
GAA P10253 1/20 0.35
POLB P06746 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GLA P06280 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CHEK1 O14757 1/20 0.31
OPRM1 P35372 2/20 0.31

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
SCHEMBL20233644 0.98 NAMPT (0.41) NAMPTAKT1TSHRHPGDGAA
SCHEMBL20330072 0.92 NAMPT (0.39) NAMPTAKT1TSHRHPGDGAA
SCHEMBL20330007 0.88 TSHR (0.39) NAMPTAKT1TSHRHPGDGAA
SCHEMBL20322406 0.88 TSHR (0.39) NAMPTAKT1TSHRHPGDGAA
SCHEMBL23664707 0.86 ALDH1A1 (0.44) NAMPTTSHRGAAKDM4EALDH1A1
SCHEMBL20323702 0.86 ALDH1A1 (0.44) NAMPTTSHRGAAKDM4EALDH1A1
SCHEMBL20231530 0.86 TSHR (0.40) NAMPTAKT1TSHRHPGDGAA
SCHEMBL21341880 0.81 TSHR (0.38) NAMPTAKT1TSHRHPGDKDM4E
SCHEMBL354459 0.80 NAMPT (0.40) NAMPTAKT1TSHRHPGDGAA
SCHEMBL31053510 0.80 TPI1 (0.45) NAMPTAKT1TSHRHPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12036209-B2 Compounds and methods for the targeted degradation of Interleukin-1 receptor-associated kinase 4 polypeptides ARVINAS OPERATIONS, INC. (US) 2024-07-16 US disclosed
EP-4249480-A1 DIPHENYLPYRAZOLE COMPOUND, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Northwest A&F University (CN) 2023-09-27 EP disclosed
US-11191741-B2 Compounds and methods for the targeted degradation of enhancer of zeste homolog 2 polypeptide ARVINAS OPERATIONS, INC. (US) 2021-12-07 US disclosed
US-11028088-B2 Modulators of BTK proteolysis and methods of use YALE UNIVERSITY (US) 2021-06-08 US disclosed
US-10604506-B2 Modulators of estrogen receptor proteolysis and associated methods of use ARVINAS OPERATIONS, INC. (US) 2020-03-31 US disclosed
US-20190276459-A1 MODULATORS OF BTK PROTEOLYSIS AND METHODS OF USE YALE UNIVERSITY 2019-09-12 US disclosed
US-20180177750-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ENHANCER OF ZESTE HOMOLOG 2 POLYPEPTIDE ARVINAS OPERATIONS, INC. 2018-06-28 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-10604506-B2 Modulators of estrogen receptor proteolysis and associated methods of use ADRM1, MDM2, ESR2 NAMPT 4798/4885AKT1 1538/4885TSHR 2220/4885
US-11191741-B2 Compounds and methods for the targeted degradation of enhancer of zeste homolog 2 polypeptide CRBN, MDM2, VHL NAMPT 4168/4885AKT1 1525/4885TSHR 3794/4885
US-12036209-B2 Compounds and methods for the targeted degradation of Interleukin-1 receptor-associated kinase 4 polypeptides IRAK1, IRAK4, IRAK2 NAMPT 4757/4885AKT1 472/4885TSHR 3456/4885
US-11028088-B2 Modulators of BTK proteolysis and methods of use BTK, CBL, CRBN NAMPT 4385/4885AKT1 527/4885TSHR 4036/4885
US-20180177750-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ENHANCER OF ZESTE HOMOLOG 2 POLYPEPTIDE CRBN, MDM2, VHL NAMPT 4168/4885AKT1 1525/4885TSHR 3794/4885
US-20190276459-A1 MODULATORS OF BTK PROTEOLYSIS AND METHODS OF USE BTK, CBL, CRBN NAMPT 4385/4885AKT1 527/4885TSHR 4036/4885

“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.