SCHEMBL15840804

SCHEMBL15840804

COc1ccc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)C(C)(C)C)cc2)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.75
KMT2A Q03164 7/20 0.75
MEN1 O00255 5/20 0.75
ALOX12 P18054 5/20 0.75
TAAR1 Q96RJ0 1/20 0.75
MAPT P10636 3/20 0.71
HTT P42858 2/20 0.71
PPIA P62937 1/20 0.67
CYP3A4 P08684 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
LMNA P02545 4/20 0.58
NPSR1 Q6W5P4 3/20 0.58
POLB P06746 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.56
GAA P10253 2/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA9 Q16790 1/20 0.55
MAPK1 P28482 1/20 0.54

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
SCHEMBL15840611 0.86 ALDH1A1 (1.00) ALDH1A1KMT2AMEN1ALOX12TAAR1
SCHEMBL13470114 0.84 ALDH1A1 (0.76) ALDH1A1KMT2AMEN1ALOX12TAAR1
SCHEMBL13454680 0.83 ALDH1A1 (0.67) ALDH1A1KMT2AMEN1ALOX12TAAR1
SCHEMBL15840667 0.83 ALDH1A1 (1.00) ALDH1A1KMT2AMEN1ALOX12TAAR1
SCHEMBL13454763 0.81 GPR55 (0.70) ALDH1A1KMT2AMEN1ALOX12TAAR1
SCHEMBL12904023 0.81 PPIA (0.70) ALDH1A1KMT2AMEN1ALOX12TAAR1
SCHEMBL17066578 0.81 GPR55 (0.76) ALDH1A1KMT2AMEN1ALOX12TAAR1
SCHEMBL13453825 0.81 ALDH1A1 (0.70) ALDH1A1KMT2AMEN1ALOX12TAAR1
SCHEMBL17066560 0.81 ALDH1A1 (0.70) ALDH1A1KMT2AMEN1ALOX12TAAR1
SCHEMBL13469997 0.81 ALDH1A1 (0.70) ALDH1A1KMT2AMEN1ALOX12TAAR1

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 ALDH1A1 4348/4885KMT2A 3667/4885MEN1 3121/4885

“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.