SCHEMBL3549858

SCHEMBL3549858

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nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
MME P08473 2/20 0.36
ACE P12821 2/20 0.36
CPA1 P15085 2/20 0.36
ACE2 Q9BYF1 2/20 0.36
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
ENPEP Q07075 5/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CASP3 P42574 1/20 0.32
TSHR P16473 1/20 0.31
PRSS1 P07477 1/20 0.31
TMPRSS15 P98073 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
SCHEMBL14265317 0.83 CA1 (0.53) CTSSCTSKCA1CA2CA7
SCHEMBL18526743 0.82 CA1 (0.42) ALDH1A1MMECA1CA2CA7
SCHEMBL754156 0.82 CA1 (0.42) ALDH1A1MMECA1CA2CA7
SCHEMBL13851758 0.76 MME (0.44) ALDH1A1MMEACECPA1ACE2
SCHEMBL10065636 0.76 MME (0.44) ALDH1A1MMEACECPA1ACE2
SCHEMBL13851596 0.75 ALDH1A1 (0.40) ALDH1A1MMEACECPA1ACE2
SCHEMBL14397274 0.75 MME (0.39) ALDH1A1MMEACECPA1ACE2
SCHEMBL12075248 0.74 ALDH1A1 (0.38) ALDH1A1MMEACECPA1ACE2
SCHEMBL2805934 0.74 ACACB (0.36) ALDH1A1MME
SCHEMBL14864770 0.74 CA1 (0.44) CTSKMMP1MMP2MMP3CA1

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
EP-1697348-B1 HIV PROTEASE INHIBITING COMPOUNDS ABBOTT LAB (US) 2011-12-28 EP disclosed
US-7696226-B2 HIV protease inhibiting compounds ABBOTT LABORATORIES (US) 2010-04-13 US disclosed
EP-1697348-A1 HIV PROTEASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 2006-09-06 EP disclosed
US-20050159469-A1 HIV protease inhibiting compounds ABBVIE INC. 2005-07-21 US disclosed
WO-2005061487-A1 HIV PROTEASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 2005-07-07 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-20050159469-A1 HIV protease inhibiting compounds SERPINB1, HPN, DNPEP ALDH1A1 2920/4885MME 115/4885ACE 63/4885

“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.