SCHEMBL15840805

SCHEMBL15840805

O=S(=O)(Nc1ccc(Cl)cc1)c1ccc(NC(=S)Nc2ccc(Br)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPIA P62937 3/20 0.70
ALDH1A1 P00352 4/20 0.64
CES1 P23141 1/20 0.63
SLC10A2 Q12908 1/20 0.56
SLC10A1 Q14973 1/20 0.56
SLC10A6 Q3KNW5 1/20 0.56
PGR P06401 1/20 0.54
CNR1 P21554 1/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
IDH1 O75874 1/20 0.52
PRMT1 Q99873 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
MAPT P10636 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51

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
SCHEMBL12757602 0.88 CES1 (0.81) ALDH1A1CES1SLC10A2SLC10A1SLC10A6
SCHEMBL18395077 0.88 CES1 (0.81) ALDH1A1CES1SLC10A2SLC10A1SLC10A6
SCHEMBL25132396 0.87 ALDH1A1 (0.74) PPIAALDH1A1CES1PGRMEN1
SCHEMBL15840711 0.87 ALDH1A1 (0.74) PPIAALDH1A1CES1PGRMEN1
SCHEMBL15840818 0.86 PPIA (0.74) PPIAALDH1A1CES1MEN1KMT2A
SCHEMBL15840715 0.83 PPIA (0.70) PPIAALDH1A1CES1PGRMEN1
SCHEMBL8956193 0.83 CNR1 (0.70) ALDH1A1CNR1MEN1KMT2AMAPT
SCHEMBL11060530 0.83 CNR1 (0.70) ALDH1A1CNR1MEN1KMT2AMAPT
SCHEMBL15840807 0.82 ALDH1A1 (0.74) PPIAALDH1A1CES1MEN1KMT2A
SCHEMBL15840678 0.82 MAPT (0.72) PPIAALDH1A1CES1MEN1KMT2A

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-20140179681-A1 METHODS AND COMPOSITIONS OF TARGETED DRUG DEVELOPMENT Errico, Joseph P. (US) 2014-06-26 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-20140179681-A1 METHODS AND COMPOSITIONS OF TARGETED DRUG DEVELOPMENT EGFR, ERBB2, ERBB3 PPIA 1884/4885ALDH1A1 4348/4885CES1 3029/4885

“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.