SCHEMBL1634930

SCHEMBL1634930

CC(C)(C)OC(=O)[C@H](C(=O)O)C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
EPHX1 P07099 3/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 2/20 0.38
BTK Q06187 1/20 0.37
ALDH1A1 P00352 4/20 0.37
NPSR1 Q6W5P4 2/20 0.37
THRB P10828 1/20 0.36
NPR3 P17342 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
HPGD P15428 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL27799064 1.00 GAA (0.40) GAAEPHX1TP53TSHRBTK
SCHEMBL27192552 0.91 CHRM2 (0.33) GAABTKTHRBCTSSCTSK
SCHEMBL7660036 0.89 THRB (0.43) GAAEPHX1TP53TSHRBTK
SCHEMBL29418054 0.84 BTK (0.30) BTK
SCHEMBL1129311 0.83 CPN1 (0.41) TSHR
SCHEMBL2328825 0.83 USP2 (0.38) ALDH1A1SMN1; SMN2
SCHEMBL4272078 0.81 CPN1 (0.47) TSHRBTKTHRBSMN1; SMN2KMT2A
SCHEMBL15015564 0.81 GAA (0.39) GAAEPHX1TP53TSHRBTK
SCHEMBL5135071 0.80 KMT2A (0.34) GAANPSR1CTSSCTSKKMT2A
SCHEMBL4970293 0.79 TP53 (0.57) TP53TSHRALDH1A1NPSR1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7932277-B2 Peptide inhibitors of hepatitis C virus replication INTERMUNE, INC. (US) 2011-04-26 US disclosed
US-7932277-B2 Peptide inhibitors of hepatitis C virus replication INTERMUNE, INC. (US) 2011-04-26 US disclosed
US-7932277-B2 Peptide inhibitors of hepatitis C virus replication INTERMUNE, INC. (US) 2011-04-26 US disclosed
EP-2185524-A1 NOVEL PEPTIDE INHIBITORS OF HEPATITIS C VIRUS REPLICATION Intermune, Inc. (US) 2010-05-19 EP disclosed
CN-101679277-A Novel peptide inhibitors of hepatitis c virus replication INTERMUNE INC 2010-03-24 CN disclosed
US-20090297476-A1 NOVEL PEPTIDE INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-12-03 US disclosed
US-20090297476-A1 NOVEL PEPTIDE INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-12-03 US disclosed
US-20090297476-A1 NOVEL PEPTIDE INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-12-03 US disclosed
WO-2008141227-A1 NOVEL PEPTIDE INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2008-11-20 WO 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-20090297476-A1 NOVEL PEPTIDE INHIBITORS OF HEPATITIS C VIRUS REPLICATION VIP, HDGF, EIF2AK2 GAA 1427/4885EPHX1 3235/4885TP53 783/4885

“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.