SCHEMBL15840656

SCHEMBL15840656

CC(C)CC(=O)NC(=S)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1

nearest known ligand 0.78

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.78
ALOX12 P18054 3/20 0.78
MEN1 O00255 3/20 0.78
KMT2A Q03164 3/20 0.78
HTT P42858 3/20 0.78
MAPT P10636 2/20 0.78
NPSR1 Q6W5P4 2/20 0.74
SMN1; SMN2 Q16637 7/20 0.72
LMNA P02545 2/20 0.72
POLB P06746 1/20 0.71
GPR55 Q9Y2T6 1/20 0.60
RAB9A P51151 2/20 0.58
NPC1 O15118 1/20 0.58
HPGD P15428 1/20 0.58
GAA P10253 2/20 0.58
RECQL P46063 1/20 0.58

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
SCHEMBL15840667 0.87 ALDH1A1 (1.00) ALDH1A1ALOX12MEN1KMT2AHTT
SCHEMBL15840652 0.86 NPSR1 (0.74) ALDH1A1ALOX12MEN1KMT2AHTT
SCHEMBL15840622 0.85 ALDH1A1 (1.00) ALDH1A1ALOX12MEN1KMT2AHTT
SCHEMBL15840615 0.85 NPSR1 (0.73) ALDH1A1ALOX12MEN1KMT2AHTT
SCHEMBL15840505 0.83 GPR55 (0.65) ALDH1A1ALOX12MEN1KMT2AHTT
SCHEMBL15840545 0.83 ALDH1A1 (0.69) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL3396831 0.80 ALDH1A1 (0.85) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL15840626 0.80 NPSR1 (0.69) ALDH1A1ALOX12MEN1KMT2AHTT
SCHEMBL15870678 0.80 PKM (0.63) ALDH1A1ALOX12MEN1KMT2AHTT
SCHEMBL15840813 0.79 ALDH1A1 (0.69) ALDH1A1ALOX12MEN1KMT2AMAPT

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 4348/4885ALOX12 3344/4885MEN1 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.