SCHEMBL1127246

SCHEMBL1127246

CCOC(=O)C(C(=O)OCC)C(=O)C(Cc1cccs1)c1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
GAA P10253 1/20 0.47
ALDH1A1 P00352 2/20 0.45
POLB P06746 2/20 0.42
ESR1 P03372 1/20 0.42
STAT3 P40763 1/20 0.42
ESR2 Q92731 1/20 0.42
TRPM8 Q7Z2W7 4/20 0.41
PKM P14618 1/20 0.40
CYP2C19 P33261 1/20 0.39
CTNNB1 P35222 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CASP6 P55212 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP1A2 P05177 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL1127577 0.91 SMN1; SMN2 (0.51) SMN1; SMN2MEN1KMT2AGAAALDH1A1
SCHEMBL1127255 0.82 ALDH1A1 (0.43) SMN1; SMN2MEN1KMT2AGAAALDH1A1
SCHEMBL13658299 0.82 ALDH1A1 (0.52) SMN1; SMN2MEN1KMT2AGAAALDH1A1
SCHEMBL1127316 0.82 MEN1 (0.52) SMN1; SMN2MEN1KMT2AGAAALDH1A1
SCHEMBL1127307 0.79 KMT2A (0.49) SMN1; SMN2MEN1KMT2AGAAALDH1A1
SCHEMBL1127514 0.79 CYP2C19 (0.55) SMN1; SMN2KMT2AALDH1A1POLBESR1
SCHEMBL13662270 0.79 ALDH1A1 (0.46) SMN1; SMN2MEN1KMT2AALDH1A1POLB
SCHEMBL1127508 0.79 GAA (0.46) SMN1; SMN2MEN1KMT2AGAAALDH1A1
SCHEMBL1127510 0.79 SMN1; SMN2 (0.46) SMN1; SMN2MEN1KMT2AGAAALDH1A1
SCHEMBL1127390 0.78 KMT2A (0.48) SMN1; SMN2MEN1KMT2AGAAALDH1A1

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-2283002-A2 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION Intermune, Inc. (US) 2011-02-16 EP disclosed
WO-2009134616-A2 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-11-05 WO disclosed
WO-2009134616-A2 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-11-05 WO disclosed
US-20090257979-A1 Novel Inhibitors of Hepatitis C Virus Replication INTERMUNE, INC. (US) 2009-10-15 US disclosed
US-20090257979-A1 Novel Inhibitors of Hepatitis C Virus Replication INTERMUNE, INC. (US) 2009-10-15 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-20090257979-A1 Novel Inhibitors of Hepatitis C Virus Replication EIF2AK2, HAVCR2, HDGF SMN1; SMN2 3563/4885MEN1 4723/4885KMT2A 2735/4885

“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.