SCHEMBL7096723

SCHEMBL7096723

NCC(=O)OC(=S)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.43
CES1 P23141 3/20 0.43
CYP3A4 P08684 2/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
TSHR P16473 2/20 0.40
ALDH1A1 P00352 2/20 0.40
POLB P06746 1/20 0.40
PARP1 P09874 1/20 0.40
CYP2C19 P33261 1/20 0.40
RECQL P46063 1/20 0.40
BLM P54132 1/20 0.40

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
SCHEMBL2127486 0.81 CES1 (0.43) TDP1CES1CYP3A4MAPTKDM4E
SCHEMBL186246 0.80 LMNA (0.52) TDP1CES1CYP3A4MAPTKDM4E
SCHEMBL4828715 0.79 CES1 (0.42) TDP1CES1CYP3A4MAPTKDM4E
SCHEMBL2762547 0.78 LMNA (0.50) TDP1CES1CYP3A4MAPTKDM4E
SCHEMBL2762264 0.78 LMNA (0.50) TDP1CES1CYP3A4MAPTKDM4E
SCHEMBL1816682 0.78 MAPT (0.50) TDP1CES1CYP3A4MAPTKDM4E
SCHEMBL489956 0.76 MAPT (0.44) TDP1CES1CYP3A4MAPTKDM4E
SCHEMBL27966805 0.75 CES2 (0.53) CES1MAPTKDM4EMEN1KMT2A
SCHEMBL29035467 0.74 ELANE (0.51) TDP1MAPTKDM4EMEN1HPGD
SCHEMBL29234727 0.74 CA2 (0.50) TDP1CES1CYP3A4MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030125300-A1 Method and composition for conjugating molecules to nucleic acids WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH 2003-07-03 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 (1 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-20030125300-A1 Method and composition for conjugating molecules to nucleic acids RNGTT, TARBP1, NSUN3 TDP1 188/4885CES1 2415/4885CYP3A4 4738/4885

“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.