SCHEMBL20323910

SCHEMBL20323910

COCCOCCCOCC(N)=O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.39
TSHR P16473 3/20 0.36
CYP3A4 P08684 2/20 0.36
CA2 P00918 1/20 0.36
ABCB11 O95342 1/20 0.35
ADRA2B P18089 1/20 0.35
OPRD1 P41143 1/20 0.35
SCN5A Q14524 1/20 0.35
EPHX2 P34913 2/20 0.34
ALDH1A1 P00352 1/20 0.33
MEN1 O00255 1/20 0.33
THRB P10828 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 1/20 0.33
DDAH1 O94760 1/20 0.33
NAMPT P43490 1/20 0.30

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
SCHEMBL27365601 1.00 CES2 (0.39) CES2TSHRCYP3A4CA2ABCB11
SCHEMBL21664618 0.96 CES2 (0.39) CES2TSHRCYP3A4CA2ABCB11
SCHEMBL20330375 0.94 CES2 (0.47) CES2TSHRCYP3A4CA2ABCB11
SCHEMBL21477137 0.94 CES2 (0.41) CES2TSHRCYP3A4EPHX2ALDH1A1
SCHEMBL20231745 0.94 CA2 (0.39) CES2TSHRCYP3A4CA2ABCB11
SCHEMBL20323861 0.94 CA2 (0.39) CES2TSHRCYP3A4CA2ABCB11
SCHEMBL3238976 0.94 CA2 (0.39) CES2TSHRCYP3A4CA2ABCB11
SCHEMBL2840008 0.94 CA2 (0.39) CES2TSHRCYP3A4CA2ABCB11
SCHEMBL5032172 0.94 CA2 (0.39) CES2TSHRCYP3A4CA2ABCB11
SCHEMBL1327135 0.94 CA2 (0.39) CES2TSHRCYP3A4CA2ABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10806737-B2 Compounds and methods for the targeted degradation of fetal liver kinase polypeptides ARVINAS OPERATIONS, INC. (US) 2020-10-20 US disclosed
US-10723717-B2 Compounds and methods for the targeted degradation of rapidly accelerated fibrosarcoma polypeptides ARVINAS OPERATIONS, INC. (US) 2020-07-28 US disclosed
US-10604506-B2 Modulators of estrogen receptor proteolysis and associated methods of use ARVINAS OPERATIONS, INC. (US) 2020-03-31 US disclosed
WO-2018119448-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF RAPIDLY ACCELERATED FIBROSARCOMA POLYPEPTIDES Arvinas, Inc. (US) 2018-06-28 WO disclosed
US-20180179183-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF RAPIDLY ACCELERATED FIBROSARCOMA POLYPEPTIDES 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 (4 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-20180179183-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF RAPIDLY ACCELERATED FIBROSARCOMA POLYPEPTIDES CRBN, ARAF, VHL CES2 3556/4885TSHR 2304/4885CYP3A4 4716/4885
US-10604506-B2 Modulators of estrogen receptor proteolysis and associated methods of use ADRM1, MDM2, ESR2 CES2 1832/4885TSHR 2220/4885CYP3A4 4408/4885
US-10806737-B2 Compounds and methods for the targeted degradation of fetal liver kinase polypeptides MDM2, CRBN, FLT3 CES2 2682/4885TSHR 1910/4885CYP3A4 4122/4885
US-10723717-B2 Compounds and methods for the targeted degradation of rapidly accelerated fibrosarcoma polypeptides CRBN, ARAF, VHL CES2 3556/4885TSHR 2304/4885CYP3A4 4716/4885

“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.