SCHEMBL1127310

SCHEMBL1127310

CCC(C)OC(=O)C(C(=O)O)C(=O)C(Cc1ccccc1F)c1ccccn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
MAPT P10636 1/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 3/20 0.36
CYP1A2 P05177 2/20 0.36
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
NPC1 O15118 2/20 0.35
TSHR P16473 2/20 0.35
GLA P06280 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
RAB9A P51151 1/20 0.35
MME P08473 1/20 0.35
LMNA P02545 2/20 0.34
TDP1 Q9NUW8 1/20 0.33
CYP2C19 P33261 1/20 0.33
KDM4E B2RXH2 2/20 0.32
CYP3A4 P08684 2/20 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
SCHEMBL1127319 0.87 MAPT (0.39) KMT2AMEN1MAPTGAASMN1; SMN2
SCHEMBL4281414 0.86 MME (0.38) KMT2AMEN1MAPTGAASMN1; SMN2
SCHEMBL1127497 0.86 ALDH1A1 (0.36) KMT2AMEN1MAPTGAASMN1; SMN2
SCHEMBL1127394 0.83 MME (0.39) KMT2AMEN1MAPTGAASMN1; SMN2
SCHEMBL1127255 0.82 ALDH1A1 (0.43) KMT2AMEN1MAPTGAASMN1; SMN2
SCHEMBL1127320 0.82 TSHR (0.44) KMT2AMEN1MAPTGAAALDH1A1
SCHEMBL1127307 0.82 KMT2A (0.49) KMT2AMEN1GAASMN1; SMN2ALDH1A1
SCHEMBL4278338 0.81 MEN1 (0.40) KMT2AMEN1MAPTGAASMN1; SMN2
SCHEMBL1129447 0.81 ALDH1A1 (0.39) KMT2AMEN1MAPTGAASMN1; SMN2
SCHEMBL1127442 0.81 KDM4E (0.37) KMT2AMEN1MAPTGAASMN1; SMN2

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 3 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
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 KMT2A 2735/4885MEN1 4723/4885MAPT 4342/4885

“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.