SCHEMBL21751841

SCHEMBL21751841

Cc1ccc(S(=O)(=O)OC2CC(OC3CCN(C(=O)O)CC3)C2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.55
CYP1A2 P05177 1/20 0.44
GPR119 Q8TDV5 2/20 0.39
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HRH1 P35367 1/20 0.37
CCR3 P51677 1/20 0.37
EPHX2 P34913 1/20 0.37
HPGD P15428 2/20 0.37
KMT2A Q03164 2/20 0.37
NPSR1 Q6W5P4 1/20 0.36
MEN1 O00255 1/20 0.36
SCN1A P35498 1/20 0.36
SCN2A Q99250 1/20 0.36

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
SCHEMBL196226 0.90 CYP2D6 (0.67) CYP2D6CYP1A2ALDH1A1KDM4ECYP3A4
SCHEMBL25213322 0.85 GPR119 (0.58) CYP2D6GPR119KMT2A
SCHEMBL15940656 0.85 CYP2D6 (0.61) CYP2D6CYP1A2ALDH1A1KDM4ELMNA
SCHEMBL3075225 0.85 CYP2D6 (0.60) CYP2D6CYP1A2ALDH1A1KDM4ECYP3A4
SCHEMBL3075230 0.85 CYP2D6 (0.60) CYP2D6CYP1A2ALDH1A1KDM4ECYP3A4
SCHEMBL4803850 0.85 CYP2D6 (0.60) CYP2D6CYP1A2ALDH1A1KDM4ECYP3A4
SCHEMBL4312712 0.82 CYP2D6 (0.57) CYP2D6CYP1A2ALDH1A1KDM4ECYP3A4
SCHEMBL25351957 0.80 CYP2D6 (0.50) CYP2D6CYP1A2ALDH1A1KDM4ECYP3A4
SCHEMBL7944945 0.79 CYP2D6 (0.67) CYP2D6CYP1A2ALDH1A1KDM4ELMNA
SCHEMBL21987575 0.79 CYP2D6 (0.55) CYP2D6CYP1A2ALDH1A1CYP3A4CYP2C19

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-20240091204-A1 MODULATORS OF ALPHA-SYNUCLEIN PROTEOLYSIS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. 2024-03-21 US disclosed
US-11707452-B2 Modulators of alpha-synuclein proteolysis and associated methods of use ARVINAS OPERATIONS, INC. (US) 2023-07-25 US disclosed
EP-3841100-A1 PROTEOLYSIS TARGETING CHIMERIC (PROTAC) COMPOUND WITH E3 UBIQUITIN LIGASE BINDING ACTIVITY AND TARGETING ALPHA-SYNUCLEIN PROTEIN FOR TREATING NEURODEGENERATIVE DISEASES Arvinas Operations, Inc. (US) 2021-06-30 EP disclosed
US-20200085793-A1 MODULATORS OF ALPHA-SYNUCLEIN PROTEOLYSIS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. 2020-03-19 US disclosed
WO-2020041331-A1 PROTEOLYSIS TARGETING CHIMERIC (PROTAC) COMPOUND WITH E3 UBIQUITIN LIGASE BINDING ACTIVITY AND TARGETING ALPHA-SYNUCLEIN PROTEIN FOR TREATING NEURODEGENERATIVE DISEASES ARVINAS OPERATIONS, INC. (US) 2020-02-27 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 (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-20240091204-A1 MODULATORS OF ALPHA-SYNUCLEIN PROTEOLYSIS AND ASSOCIATED METHODS OF USE UCHL1, ADRM1, CRBN CYP2D6 4623/4885CYP1A2 4449/4885GPR119 3718/4885
US-20200085793-A1 MODULATORS OF ALPHA-SYNUCLEIN PROTEOLYSIS AND ASSOCIATED METHODS OF USE UCHL1, ADRM1, CRBN CYP2D6 4623/4885CYP1A2 4449/4885GPR119 3718/4885
US-11707452-B2 Modulators of alpha-synuclein proteolysis and associated methods of use UCHL1, ADRM1, CRBN CYP2D6 4623/4885CYP1A2 4449/4885GPR119 3718/4885

“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.