Sugi Predict

Sugi Predict / Compounds / SCHEMBL20076133

SCHEMBL20076133

SCHEMBL20076133

CC(C)(C)OC(=O)CC[C@@H](C(N)=O)N1Cc2c(Br)cccc2C1=O

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MAPT P10636 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SDCBP O00560 1/20 0.32
▸ SDC2 P34741 1/20 0.32
▸ VHL P40337 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ UCHL1 P09936 1/20 0.32
▸ PTPRC P08575 2/20 0.31
▸ THRB P10828 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ CBLB Q13191 1/20 0.31
▸ POLB P06746 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 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
SCHEMBL21932895 1.00 ALOX15 (0.35) ALOX15KDM4EMAPTSMN1; SMN2NPC1
SCHEMBL29493294 0.89 ALOX15 (0.34) ALOX15KDM4EMAPTSMN1; SMN2NPC1
SCHEMBL29546840 0.89 ALOX15 (0.34) ALOX15KDM4EMAPTSMN1; SMN2NPC1
SCHEMBL2255636 0.89 ALOX15 (0.34) ALOX15KDM4EMAPTSMN1; SMN2NPC1
SCHEMBL15467376 0.89 ALOX15 (0.34) ALOX15KDM4EMAPTSMN1; SMN2NPC1
SCHEMBL17724288 0.89 ALOX15 (0.34) ALOX15KDM4EMAPTSMN1; SMN2NPC1
SCHEMBL17724339 0.89 ALOX15 (0.34) ALOX15KDM4EMAPTSMN1; SMN2NPC1
SCHEMBL18666553 0.89 NPC1 (0.39) ALOX15KDM4EMAPTSMN1; SMN2NPC1
SCHEMBL29471940 0.89 NPC1 (0.39) ALOX15KDM4EMAPTSMN1; SMN2NPC1
SCHEMBL18639820 0.89 NPC1 (0.39) ALOX15KDM4EMAPTSMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230331681-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR ARVINAS OPERATIONS, INC. 2023-10-19 — — US disclosed
EP-3660004-B1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR ARVINAS OPERATIONS INC (US) 2023-02-22 — — EP disclosed
EP-3660004-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR Arvinas Operations, Inc. (US) 2020-06-03 — — EP disclosed
WO-2018071606-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR Arvinas, Inc. (US) 2018-04-19 — — WO 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-20230331681-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR AR, ADRM1, CRBN ALOX15 4356/4885KDM4E 706/4885MAPT 2938/4885

“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.