SCHEMBL21561685

SCHEMBL21561685

CN1CCN(C(=O)C=S)CC1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.52
CYP1A2 P05177 1/20 0.52
POLB P06746 1/20 0.46
GAA P10253 1/20 0.43
MGLL Q99685 2/20 0.43
PHGDH O43175 1/20 0.43
HTR1A P08908 1/20 0.42
ALDH1A1 P00352 2/20 0.39
DUSP3 P51452 1/20 0.39
PTPN5 P54829 1/20 0.39
PTPN11 Q06124 1/20 0.39
HTT P42858 1/20 0.38
HSD11B1 P28845 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL180337 0.78 CYP1A2 (0.54) TDP1CYP1A2POLBGAAMGLL
SCHEMBL27572184 0.78 CYP1A2 (0.54) TDP1CYP1A2POLBGAAMGLL
SCHEMBL447067 0.78 CYP1A2 (0.54) TDP1CYP1A2POLBGAAMGLL
SCHEMBL2192994 0.78 CYP1A2 (0.54) TDP1CYP1A2POLBGAAMGLL
SCHEMBL2655926 0.76 CYP1A2 (0.52) TDP1CYP1A2POLBGAAMGLL
SCHEMBL5418191 0.76 CYP1A2 (0.52) TDP1CYP1A2POLBGAAMGLL
SCHEMBL23071468 0.74 POLB (0.53) TDP1CYP1A2POLBGAAHTR1A
SCHEMBL10313304 0.74 POLB (0.53) TDP1CYP1A2POLBGAAHTR1A
SCHEMBL18181862 0.74 POLB (0.53) TDP1CYP1A2POLBGAAHTR1A
SCHEMBL26880817 0.74 CYP1A2 (0.56) TDP1CYP1A2POLBGAAMGLL

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-11789025-B2 Reagents and methods for analysis of proteins and metabolites targeted by covalent probes DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-10-17 US disclosed
US-11789025-B2 Reagents and methods for analysis of proteins and metabolites targeted by covalent probes DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-10-17 US disclosed
US-10969394-B2 Reagents and methods for analysis of proteins and metabolites targeted by covalent probes DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-04-06 US disclosed
US-20210072254-A1 Reagents and Methods for Analysis of Proteins and Metabolites Targeted by Covalent Probes DANA-FARBER CANCER INSTITUTE, INC. 2021-03-11 US disclosed
US-20190346454-A1 Reagents and Methods for Analysis of Proteins and Metabolites Targeted by Covalent Probes DANA-FARBER CANCER INSTITUTE, INC. 2019-11-14 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 (4 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-10969394-B2 Reagents and methods for analysis of proteins and metabolites targeted by covalent probes PTMS, SRMS, HSP90B1 TDP1 3437/4885CYP1A2 2896/4885POLB 3536/4885
US-11789025-B2 Reagents and methods for analysis of proteins and metabolites targeted by covalent probes PTMS, SRMS, HSP90B1 TDP1 3437/4885CYP1A2 2896/4885POLB 3536/4885
US-20210072254-A1 Reagents and Methods for Analysis of Proteins and Metabolites Targeted by Covalent Probes PTMS, SRMS, HSP90B1 TDP1 3437/4885CYP1A2 2896/4885POLB 3536/4885
US-20190346454-A1 Reagents and Methods for Analysis of Proteins and Metabolites Targeted by Covalent Probes PTMS, SRMS, HSP90B1 TDP1 3437/4885CYP1A2 2896/4885POLB 3536/4885

“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.