SCHEMBL811371

SCHEMBL811371

CCC(S)C(=O)NCC(N)=O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACE P12821 4/20 0.47
MME P08473 3/20 0.47
CPA1 P15085 3/20 0.47
ACE2 Q9BYF1 3/20 0.47
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
PTGS2 P35354 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
USP2 O75604 1/20 0.35
TSHR P16473 1/20 0.35
METAP1 P53582 1/20 0.35
ECE1 P42892 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
SCHEMBL28477032 0.84 TDP1 (0.47) ACEMMECPA1ACE2ALDH1A1
SCHEMBL13850714 0.78 TSHR (0.60) ACEMMECPA1ACE2ALDH1A1
SCHEMBL27391827 0.78
SCHEMBL10089275 0.77 GAA (0.41) ACEMMECPA1ACE2ALDH1A1
SCHEMBL19387509 0.77 GAA (0.41) ACEMMECPA1ACE2ALDH1A1
SCHEMBL928766 0.76
SCHEMBL27398023 0.74 USP2 (0.48) ACEMMECPA1ACE2ALDH1A1
SCHEMBL20366038 0.73 MME (0.46) ACEMMECPA1ACE2ALDH1A1
SCHEMBL3088751 0.73 ALDH1A1 (0.41) ACEMMECPA1ACE2ALDH1A1
SCHEMBL3328326 0.73

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
EP-1971611-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2012-10-10 EP disclosed
EP-2345652-A1 Antiviral compounds Abbott Laboratories (US) 2011-07-20 EP disclosed
US-7915411-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2011-03-29 US disclosed
EP-1971611-A1 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-09-24 EP disclosed
US-20070197558-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-08-23 US disclosed
WO-2007081517-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-19 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-20070197558-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 ACE 27/4885MME 218/4885CPA1 3513/4885

“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.