SCHEMBL21458426

SCHEMBL21458426

CC(C)(C)OC(=O)N[C@@H](COCC(=O)O)c1ccc(Br)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSS P25774 5/20 0.46
CTSK P43235 4/20 0.46
PPARA Q07869 2/20 0.42
AAK1 Q2M2I8 5/20 0.42
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.41
PPARG P37231 1/20 0.41
NPC1 O15118 1/20 0.40
RECQL P46063 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CTSB P07858 1/20 0.40
ATM Q13315 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
XBP1 P17861 1/20 0.39
MAPK1 P28482 1/20 0.39
CACNA1B Q00975 1/20 0.39

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
SCHEMBL21458427 1.00 CTSS (0.46) CTSSCTSKPPARAAAK1MAPT
SCHEMBL17846052 0.90 CTSK (0.51) CTSSCTSKPPARAMAPTPPARG
SCHEMBL28513767 0.87 CTSK (0.47) CTSSCTSKPPARAAAK1ALDH1A1
SCHEMBL21458419 0.86 MAPT (0.47) CTSSCTSKPPARAAAK1MAPT
SCHEMBL21458417 0.86 MAPT (0.47) CTSSCTSKPPARAAAK1MAPT
SCHEMBL34471964 0.85 CTSS (0.43) CTSSCTSKPPARAAAK1MAPT
SCHEMBL26932311 0.84 CTSS (0.42) CTSSCTSKPPARAMAPTALDH1A1
SCHEMBL26931886 0.84 CTSS (0.42) CTSSCTSKPPARAMAPTALDH1A1
SCHEMBL3504563 0.84 CTSS (0.49) CTSSCTSKMAPTALDH1A1NPC1
SCHEMBL30683044 0.84 CTSS (0.46) CTSSCTSKAAK1MAPTALDH1A1

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-20220402907-A1 MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE YALE UNIVERSITY 2022-12-22 US disclosed
US-11161841-B2 Modulators of proteolysis and associated methods of use ARVINAS OPERATIONS, INC. (US) 2021-11-02 US disclosed
EP-3774777-A2 MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE Arvinas Operations, Inc. (US) 2021-02-17 EP disclosed
US-20190315732-A1 MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. 2019-10-17 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 (3 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-20190315732-A1 MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE MDM2, CRBN, VHL CTSS 545/4885CTSK 982/4885PPARA 4363/4885
US-20220402907-A1 MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE MDM2, CRBN, VHL CTSS 545/4885CTSK 982/4885PPARA 4363/4885
US-11161841-B2 Modulators of proteolysis and associated methods of use MDM2, CRBN, VHL CTSS 545/4885CTSK 982/4885PPARA 4363/4885

“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.