SCHEMBL13565764

SCHEMBL13565764

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

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
FAAH O00519 1/20 0.37
MAPK1 P28482 1/20 0.37
MMP1 P03956 2/20 0.36
MMP2 P08253 2/20 0.36
MMP8 P22894 2/20 0.36
MMP13 P45452 1/20 0.36
ALDH1A1 P00352 2/20 0.35
TSHR P16473 1/20 0.34
MMP3 P08254 1/20 0.34
CHRM5 P08912 1/20 0.33
CHRM3 P20309 1/20 0.33
CTSK P43235 1/20 0.33
RXFP1 Q9HBX9 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
SCHEMBL16917911 0.83 MEN1 (0.40) KMT2AMEN1MMP1MMP2MMP8
SCHEMBL12376692 0.80 KMT2A (0.40) KMT2AMEN1FAAHMAPK1MMP1
SCHEMBL12376684 0.77 MMP3 (0.39) KMT2AMEN1FAAHMAPK1MMP1
SCHEMBL12967167 0.77 KMT2A (0.39) KMT2AMEN1FAAHMAPK1ALDH1A1
SCHEMBL19414066 0.77 KMT2A (0.41) KMT2AMEN1FAAHMAPK1MMP1
SCHEMBL13118697 0.77 KMT2A (0.41) KMT2AMEN1FAAHMAPK1MMP1
SCHEMBL23475900 0.76 MEN1 (0.43) KMT2AMEN1FAAHMAPK1MMP1
SCHEMBL7725268 0.76 MEN1 (0.43) KMT2AMEN1FAAHMAPK1MMP1
SCHEMBL15384924 0.71 MEN1 (0.39) KMT2AMEN1MMP1MMP2MMP8
SCHEMBL22035847 0.71 MEN1 (0.44) KMT2AMEN1FAAHMAPK1ALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2632261-B1 INHIBITORS OF HEPATITIS C VIRUS PRESIDIO PHARMACEUTICALS INC (US) 2016-07-13 EP disclosed
US-9309260-B2 Inhibitors of hepatitis C virus PRESIDIO PHARMACEUTICALS, INC. (US) 2016-04-12 US disclosed
US-9085587-B2 Inhibitors of hepatitis C virus PRESIDIO PHARMACEUTICALS, INC. (US) 2015-07-21 US disclosed
US-20130302282-A1 Inhibitors of Hepatitis C Virus PRESIDIO PHARMACEUTICALS, INC. (US) 2013-11-14 US disclosed
US-20120276051-A1 INHIBITORS OF HEPATITIS C VIRUS PRESIDIO PHARMACEUTICALS, INC. (US) 2012-11-01 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 (2 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-20120276051-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, LIPC, HCCS KMT2A 4092/4885MEN1 4815/4885FAAH 1592/4885
US-20130302282-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.