SCHEMBL1127442

SCHEMBL1127442

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
PTGS1 P23219 2/20 0.35
PGR P06401 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
SLC6A2 P23975 1/20 0.35
MAPT P10636 1/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 3/20 0.33
ITGB1 P05556 2/20 0.33
CYP1A2 P05177 1/20 0.33
ITGA4 P13612 1/20 0.33
TSHR P16473 1/20 0.33
PTGS2 P35354 1/20 0.33
ADAMTS4 O75173 1/20 0.32
MAPK8 P45983 1/20 0.32
ITGB3 P05106 1/20 0.32
ITGAV P06756 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
SCHEMBL1127319 0.90 MAPT (0.39) KDM4EPTGS1PGRADORA3SLC6A2
SCHEMBL1127394 0.87 MME (0.39) SLC6A2MAPTMEN1GAAKMT2A
SCHEMBL1127320 0.87 TSHR (0.44) MAPTMEN1GAAKMT2AALDH1A1
SCHEMBL1129447 0.86 ALDH1A1 (0.39) KDM4EPTGS1PGRADORA3SLC6A2
SCHEMBL1127436 0.83 MEN1 (0.46) KDM4EPTGS1PGRADORA3SLC6A2
SCHEMBL4281414 0.83 MME (0.38) MAPTMEN1GAAKMT2ASMN1; SMN2
SCHEMBL1127497 0.83 ALDH1A1 (0.36) KDM4EMAPTMEN1GAAKMT2A
SCHEMBL1127310 0.81 KMT2A (0.36) KDM4EMAPTMEN1GAAKMT2A
SCHEMBL1127832 0.80 TAAR1 (0.40) KDM4EKMT2AALDH1A1ITGB1TSHR
SCHEMBL1127419 0.80 KDM4E (0.42) KDM4EPTGS1PGRADORA3SLC6A2

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 KDM4E 1012/4885PTGS1 1088/4885PGR 1534/4885

“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.