SCHEMBL1127320

SCHEMBL1127320

CCC(C)OC(=O)C(C(=O)O)C(=O)C(Cc1ccc(OC)cc1)c1ccccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
LDHA P00338 1/20 0.41
MAPT P10636 1/20 0.39
PPARG P37231 2/20 0.39
PPARA Q07869 1/20 0.39
SLC10A1 Q14973 1/20 0.38
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
ITGB3 P05106 1/20 0.37
ITGB1 P05556 1/20 0.37
ITGAV P06756 1/20 0.37
ITGB5 P18084 1/20 0.37
ITGB6 P18564 1/20 0.37
HSD17B10 Q99714 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
MAOB P27338 1/20 0.36
F2 P00734 1/20 0.35

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 0.92 MAPT (0.39) TSHRMAPTALDH1A1MEN1GAA
SCHEMBL1127832 0.90 TAAR1 (0.40) TSHRPPARGPPARAALDH1A1KMT2A
SCHEMBL1127394 0.89 MME (0.39) TSHRMAPTPPARGPPARAALDH1A1
SCHEMBL1129447 0.87 ALDH1A1 (0.39) MAPTPPARGPPARAALDH1A1MEN1
SCHEMBL1127442 0.87 KDM4E (0.37) TSHRMAPTALDH1A1MEN1GAA
SCHEMBL4281414 0.85 MME (0.38) MAPTPPARGALDH1A1MEN1GAA
SCHEMBL1127497 0.84 ALDH1A1 (0.36) MAPTALDH1A1MEN1GAAKMT2A
SCHEMBL1127315 0.82 MEN1 (0.47) TSHRLDHAMAPTPPARGPPARA
SCHEMBL1127310 0.82 KMT2A (0.36) TSHRMAPTPPARGPPARAALDH1A1
SCHEMBL1127255 0.80 ALDH1A1 (0.43) MAPTALDH1A1MEN1GAAKMT2A

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 TSHR 4762/4885LDHA 2789/4885MAPT 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.