SCHEMBL8053498

SCHEMBL8053498

C=CCCCC[C@H](N)C(=O)OC

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
LMNA P02545 2/20 0.49
MAPT P10636 4/20 0.45
USP2 O75604 3/20 0.45
CYP3A4 P08684 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HPGD P15428 1/20 0.45
RECQL P46063 1/20 0.40
DDAH1 O94760 1/20 0.39
ABCC4 O15439 1/20 0.37
ZDHHC7 Q9NXF8 1/20 0.36
CYP2C9 P11712 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
GSR P00390 1/20 0.33

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
SCHEMBL24298179 0.98 ALDH1A1 (0.51) ALDH1A1LMNAMAPTUSP2CYP3A4
SCHEMBL1128635 0.98 ALDH1A1 (0.51) ALDH1A1LMNAMAPTUSP2CYP3A4
SCHEMBL7872976 0.98 ALDH1A1 (0.51) ALDH1A1LMNAMAPTUSP2CYP3A4
SCHEMBL13248790 0.95 ALDH1A1 (0.46) ALDH1A1LMNAMAPTUSP2CYP3A4
SCHEMBL1271958 0.95 ALDH1A1 (0.46) ALDH1A1LMNAMAPTUSP2CYP3A4
SCHEMBL18109641 0.87 ALDH1A1 (0.40) ALDH1A1LMNAMAPTUSP2CYP3A4
SCHEMBL7274493 0.87 ALDH1A1 (0.40) ALDH1A1LMNAMAPTUSP2CYP3A4
SCHEMBL15723449 0.87 ALDH1A1 (0.40) ALDH1A1LMNAMAPTUSP2CYP3A4
SCHEMBL16330498 0.84 ZDHHC7 (0.45) CYP3A4SMN1; SMN2DDAH1ZDHHC7CA1
SCHEMBL12564909 0.84 ALDH1A1 (0.44) ALDH1A1LMNAMAPTUSP2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110150835-A1 Macrocyclic Inhibitors of Hepatitis C Virus NS3 Serine Protease SCHERING CORPORATION 2011-06-23 US disclosed
US-20110150835-A1 Macrocyclic Inhibitors of Hepatitis C Virus NS3 Serine Protease SCHERING CORPORATION 2011-06-23 US disclosed
US-7592419-B2 Macrocyclic inhibitors of hepatitis C virus NS3-serine protease SCHERING CORPORATION (US) 2009-09-22 US disclosed
US-7592419-B2 Macrocyclic inhibitors of hepatitis C virus NS3-serine protease SCHERING CORPORATION (US) 2009-09-22 US disclosed
WO-2009058856-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE SCHERING CORPORATION (US) 2009-05-07 WO disclosed
WO-2005030796-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE SCHERING CORPORATION (US) 2005-04-07 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-20110150835-A1 Macrocyclic Inhibitors of Hepatitis C Virus NS3 Serine Protease TMPRSS15, SPINT2, HPN ALDH1A1 1647/4885LMNA 3243/4885MAPT 4004/4885

“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.