SCHEMBL29874577

SCHEMBL29874577

COC(=O)[C@@H]1C[C@@H](N2CCN(C(=O)OCc3ccccc3)CC2)CN1C(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
PARP1 P09874 1/20 0.46
PDK1 Q15118 1/20 0.43
PDK2 Q15119 1/20 0.43
PDK3 Q15120 1/20 0.43
PDK4 Q16654 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP2C19 P33261 1/20 0.42
FKBP1A P62942 1/20 0.42
AGTR2 P50052 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MMP1 P03956 1/20 0.41
MMP3 P08254 1/20 0.41
MMP7 P09237 1/20 0.41
MMP9 P14780 1/20 0.41
MMP13 P45452 1/20 0.41

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
SCHEMBL30801095 1.00 HTT (0.48) HTTSMN1; SMN2NPC1RAB9APARP1
SCHEMBL13681760 0.85 PARP1 (0.55) HTTSMN1; SMN2NPC1RAB9APARP1
SCHEMBL2820733 0.85 PARP1 (0.55) HTTSMN1; SMN2NPC1RAB9APARP1
SCHEMBL20129643 0.85 PARP1 (0.55) HTTSMN1; SMN2NPC1RAB9APARP1
SCHEMBL23249881 0.85 PARP1 (0.49) HTTSMN1; SMN2NPC1RAB9APARP1
SCHEMBL32684605 0.85 PARP1 (0.49) HTTSMN1; SMN2NPC1RAB9APARP1
SCHEMBL2708839 0.84 PARP1 (0.43) HTTSMN1; SMN2NPC1RAB9APARP1
SCHEMBL3843422 0.83 PARP1 (0.42) HTTSMN1; SMN2NPC1RAB9APARP1
SCHEMBL21876995 0.82 SMN1; SMN2 (0.52) HTTSMN1; SMN2NPC1RAB9APARP1
SCHEMBL21458909 0.82 SMN1; SMN2 (0.52) HTTSMN1; SMN2NPC1RAB9APARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12310975-B2 Modulators of BCL6 proteolysis and associated methods of use ARVINAS OPERATIONS, INC. (US) 2025-05-27 US disclosed
US-20220323457-A1 MODULATORS OF BCL6 PROTEOLYSIS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. 2022-10-13 US disclosed
EP-4045496-A1 BIFUNCTIONAL MOLECULES CONTAINING AN E3 UBIQUITINE LIGASE BINDING MOIETY LINKED TO A BCL6 TARGETING MOIETY Arvinas Operations, Inc. (US) 2022-08-24 EP 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 (2 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-12310975-B2 Modulators of BCL6 proteolysis and associated methods of use BCL6, BCL6B, BCL3 HTT 535/4885SMN1; SMN2 1897/4885NPC1 1672/4885
US-20220323457-A1 MODULATORS OF BCL6 PROTEOLYSIS AND ASSOCIATED METHODS OF USE BCL6, BCL6B, BCL3 HTT 535/4885SMN1; SMN2 1897/4885NPC1 1672/4885

“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.