SCHEMBL15836638

SCHEMBL15836638

CC(C)CC(=O)NC(=S)Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 11/20 0.66
▸ MEN1 O00255 9/20 0.66
▸ ALDH1A1 P00352 8/20 0.66
▸ SMN1; SMN2 Q16637 5/20 0.66
▸ GAA P10253 3/20 0.66
▸ MAPT P10636 8/20 0.55
▸ LMNA P02545 4/20 0.55
▸ USP2 O75604 2/20 0.55
▸ HTT P42858 2/20 0.55
▸ NPSR1 Q6W5P4 2/20 0.55
▸ NPC1 O15118 1/20 0.54
▸ TSHR P16473 1/20 0.54
▸ PKM P14618 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
SCHEMBL15836647 0.86 KMT2A (0.70) KMT2AMEN1ALDH1A1SMN1; SMN2GAA
SCHEMBL17066624 0.83 KMT2A (0.59) KMT2AMEN1ALDH1A1SMN1; SMN2GAA
SCHEMBL13454767 0.82 KMT2A (0.67) KMT2AMEN1ALDH1A1SMN1; SMN2GAA
SCHEMBL17066596 0.81 MAPT (0.64) KMT2AMEN1ALDH1A1SMN1; SMN2GAA
SCHEMBL17066565 0.81 KMT2A (0.57) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL13453770 0.80 ALDH1A1 (0.69) KMT2AMEN1ALDH1A1SMN1; SMN2GAA
SCHEMBL13453805 0.80 KMT2A (0.66) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL13470458 0.80 ALDH1A1 (0.62) KMT2AMEN1ALDH1A1SMN1; SMN2GAA
SCHEMBL13454397 0.80 KMT2A (0.55) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL17066505 0.80 MAPT (0.69) KMT2AMEN1ALDH1A1SMN1; SMN2GAA

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 2 patents. 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
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 KMT2A 3667/4885MEN1 3121/4885ALDH1A1 4348/4885

“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.

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