SCHEMBL11934367

SCHEMBL11934367

CCN1C(=O)C2CCC(C2)C1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.42
ELANE P08246 1/20 0.42
CTSG P08311 1/20 0.42
CTRC Q99895 1/20 0.42
ALDH1A1 P00352 6/20 0.38
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
GMNN O75496 1/20 0.37
THPO P40225 1/20 0.37
BLM P54132 1/20 0.37
PMP22 Q01453 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MGLL Q99685 1/20 0.37
CYP2D6 P10635 1/20 0.37
ADORA3 P0DMS8 1/20 0.36
HTT P42858 3/20 0.31
TSHR P16473 2/20 0.31
ATM Q13315 1/20 0.31
CYP19A1 P11511 1/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL12600692 0.90 F2 (0.46) F2ELANECTSGCTRCALDH1A1
SCHEMBL8294119 0.82 CYP19A1 (0.41) ALDH1A1CYP19A1
SCHEMBL8293286 0.76 PIK3CD (0.44) ALDH1A1LMNACYP19A1CYP3A4CYP2C19
SCHEMBL12601406 0.75 F2 (0.46) F2ELANECTSGCTRCALDH1A1
SCHEMBL18845608 0.75 F2 (0.46) F2ELANECTSGCTRCALDH1A1
SCHEMBL18541891 0.73 ALDH1A1 (0.49) ALDH1A1LMNACYP2D6CYP3A4CYP2C19
SCHEMBL12856046 0.72 ALDH1A1 (0.38) ALDH1A1TSHRCYP3A4CYP2C19
SCHEMBL1101920 0.71 ALDH1A1 (0.50) F2ELANECTSGCTRCALDH1A1
SCHEMBL8295802 0.71 CYP19A1 (0.42) ALDH1A1HTTTSHRCYP19A1
SCHEMBL12600776 0.71 ALDH1A1 (0.46) F2ELANECTSGCTRCALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8211932-B2 Organic compounds and their uses NOVARTIS AG (CH) 2012-07-03 US disclosed
EP-1730142-B1 NOVEL KETOAMIDES WITH CYCLIC P4'S AS INHIBITORS OF NS3 SERINE PROTEASE OF HEPATITIS C VIRUS SCHERING CORP (US) 2011-06-29 EP disclosed
US-20100331243-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2010-12-30 US disclosed
US-20100074867-A1 P1-NONEPIMERIZABLE KETOAMIDE INHIBITORS OF HCV NS3 PROTEASE Schering Corporation Patent Department, K-6-1; 1990 (US) 2010-03-25 US disclosed
US-7449447-B2 Peptidomimetic NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2008-11-11 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 (2 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-20100331243-A1 ORGANIC COMPOUNDS AND THEIR USES OAT, OTC, AOX1 F2 1674/4885ELANE 169/4885CTSG 1783/4885
US-20100074867-A1 P1-NONEPIMERIZABLE KETOAMIDE INHIBITORS OF HCV NS3 PROTEASE CTRL, PREP, CES1 F2 1902/4885ELANE 196/4885CTSG 187/4885

“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.