SCHEMBL15840673

SCHEMBL15840673

COc1ccc(C)cc1NC(=S)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPIA P62937 2/20 0.67
ALDH1A1 P00352 6/20 0.65
KMT2A Q03164 3/20 0.65
MEN1 O00255 2/20 0.65
MAPK1 P28482 1/20 0.57
GAA P10253 1/20 0.56
MAPT P10636 4/20 0.54
LMNA P02545 2/20 0.53
CNR1 P21554 1/20 0.53
HTT P42858 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
MCOLN3 Q8TDD5 1/20 0.53
GPR55 Q9Y2T6 1/20 0.53
IDH1 O75874 1/20 0.52
AVPR2 P30518 1/20 0.51
GPR27 Q9NS67 1/20 0.51
TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL15840735 0.93 ALDH1A1 (0.61) PPIAALDH1A1KMT2AMEN1MAPK1
SCHEMBL15840733 0.86 PPIA (0.71) PPIAALDH1A1KMT2AMEN1MAPK1
SCHEMBL15840641 0.85 PPIA (0.74) PPIAALDH1A1KMT2AMEN1MAPK1
SCHEMBL15840818 0.84 PPIA (0.74) PPIAALDH1A1KMT2AMEN1MAPT
SCHEMBL13784990 0.82 ALDH1A1 (0.67) ALDH1A1KMT2AMEN1GAAMAPT
SCHEMBL15840678 0.81 MAPT (0.72) PPIAALDH1A1KMT2AMEN1GAA
SCHEMBL6812397 0.79 ALDH1A1 (0.57) PPIAALDH1A1KMT2AMEN1GAA
SCHEMBL6442535 0.79 GAA (0.67) ALDH1A1KMT2AMEN1GAAMAPT
SCHEMBL15840660 0.78 PPIA (0.62) PPIAALDH1A1KMT2AMEN1MAPK1
SCHEMBL15840705 0.77 PPIA (0.78) PPIAALDH1A1KMT2AMEN1MAPK1

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 4348/4885KMT2A 3667/4885

“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.