SCHEMBL20205020

SCHEMBL20205020

O=C(C=S)N1CCOc2ccccc21

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.65
PDK1 Q15118 1/20 0.59
POLB P06746 1/20 0.56
THRB P10828 1/20 0.50
MAPT P10636 5/20 0.49
RXFP1 Q9HBX9 3/20 0.47
LMNA P02545 2/20 0.47
DRD2 P14416 1/20 0.47
DRD4 P21917 1/20 0.47
KMT2A Q03164 1/20 0.46
NR3C2 P08235 1/20 0.45
HSD11B1 P28845 1/20 0.45
TP53 P04637 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL21392974 0.84 NOTUM (0.65) NOTUMPDK1POLBTHRBMAPT
SCHEMBL6648039 0.83 NOTUM (0.73) NOTUMPDK1POLBTHRBMAPT
SCHEMBL4969919 0.82 NOTUM (0.61) NOTUMPDK1POLBTHRBMAPT
SCHEMBL4969115 0.82 NOTUM (0.61) NOTUMPDK1POLBTHRBMAPT
SCHEMBL4969128 0.82 NOTUM (0.61) NOTUMPDK1POLBTHRBMAPT
SCHEMBL7350334 0.79 NOTUM (1.00) NOTUMPDK1POLBTHRBMAPT
SCHEMBL1548726 0.79 NOTUM (0.71) NOTUMPDK1POLBTHRBMAPT
SCHEMBL16144907 0.79 NOTUM (0.71) NOTUMPDK1POLBTHRBMAPT
Hydrochloric Acid SCHEMBL27851171 0.78 NOTUM (0.69) NOTUMPDK1POLBTHRBMAPT
SCHEMBL16193763 0.76 POLB (0.78) NOTUMPDK1POLBTHRBMAPT

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 6 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
WO-2018098473-A1 REAGENTS AND METHODS FOR ANALYSIS OF PROTEINS AND METABOLITES TARGETED BY COVALENT PROBES DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-05-31 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 (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 NOTUM 2928/4885PDK1 2382/4885POLB 3536/4885
US-11789025-B2 Reagents and methods for analysis of proteins and metabolites targeted by covalent probes PTMS, SRMS, HSP90B1 NOTUM 2928/4885PDK1 2382/4885POLB 3536/4885
US-20210072254-A1 Reagents and Methods for Analysis of Proteins and Metabolites Targeted by Covalent Probes PTMS, SRMS, HSP90B1 NOTUM 2928/4885PDK1 2382/4885POLB 3536/4885
US-20190346454-A1 Reagents and Methods for Analysis of Proteins and Metabolites Targeted by Covalent Probes PTMS, SRMS, HSP90B1 NOTUM 2928/4885PDK1 2382/4885POLB 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.