SCHEMBL12967167

SCHEMBL12967167

CCN(CC(=O)NC(C)C)S(C)(=O)=O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.39
MEN1 O00255 3/20 0.39
FAAH O00519 1/20 0.39
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 4/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.34
KDM4E B2RXH2 1/20 0.33
CYP2C19 P33261 2/20 0.33
GAA P10253 2/20 0.33
POLB P06746 1/20 0.33
TSHR P16473 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32

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
SCHEMBL12376684 0.85 MMP3 (0.39) KMT2AMEN1FAAHMAPK1ALDH1A1
SCHEMBL26422098 0.79 GAA (0.34) KMT2AALDH1A1LMNAHTTKDM4E
SCHEMBL13565764 0.77 KMT2A (0.40) KMT2AMEN1FAAHMAPK1ALDH1A1
SCHEMBL12376692 0.77 KMT2A (0.40) KMT2AMEN1FAAHMAPK1ALDH1A1
SCHEMBL25817666 0.76 HIF1A (0.43) LMNAHTT
SCHEMBL13342376 0.75 LMNA (0.65) KMT2AMEN1ALDH1A1LMNACYP2C19
SCHEMBL7724917 0.74 ALDH1A1 (0.50) KMT2AMEN1FAAHMAPK1ALDH1A1
SCHEMBL14393899 0.74 CYP2C19 (0.39) KMT2AMEN1ALDH1A1CYP2C19GAA
SCHEMBL22035847 0.72 MEN1 (0.44) KMT2AMEN1FAAHMAPK1ALDH1A1
SCHEMBL12967173 0.72 ALDH1A1 (0.38) ALDH1A1POLB

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-20120251497-A1 INHIBITORS OF HEPATITIS C VIRUS PRESIDIO PHARMACEUTICALS, INC. 2012-10-04 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-20120251497-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, LIPC, HCCS KMT2A 4092/4885MEN1 4815/4885FAAH 1592/4885

“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.