SCHEMBL20004511

SCHEMBL20004511

CS(=O)(=O)N1CCN(c2ccc(C#Cc3cc4cc(F)cnc4[nH]3)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 3/20 0.57
CYP17A1 P05093 2/20 0.42
CYP21A2 P08686 2/20 0.42
CYP11B1 P15538 2/20 0.42
SYK P43405 2/20 0.40
ALK Q9UM73 3/20 0.39
CDK9 P50750 2/20 0.39
AURKA O14965 1/20 0.39
CDK2 P24941 1/20 0.39
AURKB Q96GD4 1/20 0.39
PIK3CA P42336 1/20 0.38
LMNA P02545 1/20 0.38
THRB P10828 1/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
JAK3 P52333 1/20 0.37
KCNH2 Q12809 1/20 0.37

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
SCHEMBL20005066 0.84 SNCA (0.58) SNCAALKLMNAKDM4EALDH1A1
SCHEMBL20004718 0.84 SNCA (0.60) SNCASYKALKCDK9AURKA
SCHEMBL20005123 0.81 SNCA (0.56) SNCACYP11B1ALKPIK3CAKDM4E
SCHEMBL20005047 0.78 SNCA (0.53) SNCAALKALDH1A1MAPT
SCHEMBL20005044 0.76 SNCA (0.55) SNCALMNAALDH1A1GAAMAPT
SCHEMBL21147622 0.76 SNCA (0.53) SNCAALKALDH1A1MAPT
SCHEMBL22537769 0.74 SNCA (0.71) SNCAMAPT
SCHEMBL22537870 0.74 SNCA (0.37) SNCACDK9PIK3CACCNT1
SCHEMBL20004447 0.73 SNCA (0.70) SNCACDK2MAPT
SCHEMBL20004518 0.73 SNCA (1.00) SNCAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10906900-B2 Compounds for using in imaging and particularly for the diagnosis of neurodegenerative diseases CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2021-02-02 US disclosed
US-10906900-B2 Compounds for using in imaging and particularly for the diagnosis of neurodegenerative diseases CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2021-02-02 US disclosed
EP-3515912-B1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES CENTRE NAT RECH SCIENT (FR) 2020-10-14 EP disclosed
EP-3515912-B1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES CENTRE NAT RECH SCIENT (FR) 2020-10-14 EP disclosed
US-20190211011-A1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2019-07-11 US disclosed
US-20190211011-A1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2019-07-11 US disclosed
WO-2018055316-A1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2018-03-29 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 (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-10906900-B2 Compounds for using in imaging and particularly for the diagnosis of neurodegenerative diseases PSEN2, CLN6, MAPT SNCA 4/4885CYP17A1 2609/4885CYP21A2 4005/4885
US-20190211011-A1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES PSEN2, SNCA, MAPT SNCA 2/4885CYP17A1 3084/4885CYP21A2 4462/4885

“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.