SCHEMBL6840431

SCHEMBL6840431

CC(C)(C)C(=O)OCOC(=O)C(N)Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.51
ALPI P09923 1/20 0.51
PKM P14618 1/20 0.51
PTGS1 P23219 1/20 0.51
XIAP P98170 1/20 0.51
SLC15A1 P46059 2/20 0.45
HDAC8 Q9BY41 2/20 0.44
LTA4H P09960 1/20 0.43
SLC1A3 P43003 2/20 0.42
SLC1A2 P43004 2/20 0.42
SLC1A1 P43005 2/20 0.42
PRKCA P17252 1/20 0.41
PRKCD Q05655 1/20 0.41
ANPEP P15144 1/20 0.41
RNPEP Q9H4A4 1/20 0.41
DNPEP Q9ULA0 1/20 0.41
CTRB1 P17538 1/20 0.41
SRR Q9GZT4 1/20 0.41
ALDH1A1 P00352 1/20 0.40
LAP3 P28838 1/20 0.40

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
SCHEMBL18025352 0.87 SLC7A5 (0.66) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL14651317 0.87 SLC7A5 (0.47) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL16017765 0.86 ACACB (0.41)
SCHEMBL8424601 0.82 SLC7A5 (0.54) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL29725342 0.80 SLC7A5 (0.56) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL20747695 0.80 SLC7A5 (0.56) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL22689089 0.80 SLC7A5 (0.56) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL20181273 0.80 SLC7A5 (0.56) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL7428482 0.80 CYP1A2 (0.51) SLC1A3SLC1A2SLC1A1ANPEPRNPEP
SCHEMBL7428489 0.80 CYP1A2 (0.51) SLC1A3SLC1A2SLC1A1ANPEPRNPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1265673-A Dipeptide compounds for inhibiting leukocyte adhesion mediated by VLA-4 ELAND PHARMACEUTICALS CO (US) 2000-09-06 CN claimed
US-8653141-B2 HIV protease inhibiting compounds ABBVIE INC. (US) 2014-02-18 US disclosed
US-20130023463-A1 HIV PROTEASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 2013-01-24 US disclosed
US-8193227-B2 HIV protease inhibiting compounds ABBOTT LABORATORIES (US) 2012-06-05 US disclosed
US-20110003827-A1 HIV protease inhibiting compounds ABBVIE INC. 2011-01-06 US disclosed
US-7696226-B2 HIV protease inhibiting compounds ABBOTT LABORATORIES (US) 2010-04-13 US disclosed
US-20050159469-A1 HIV protease inhibiting compounds ABBVIE INC. 2005-07-21 US disclosed
CN-1265673-A Dipeptide compounds for inhibiting leukocyte adhesion mediated by VLA-4 ELAND PHARMACEUTICALS CO (US) 2000-09-06 CN 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 (3 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-20110003827-A1 HIV protease inhibiting compounds SERPINB1, HPN, DNPEP SLC7A5 3808/4885ALPI 1220/4885PKM 2793/4885
US-20130023463-A1 HIV PROTEASE INHIBITING COMPOUNDS SERPINB1, HPN, DNPEP SLC7A5 3808/4885ALPI 1220/4885PKM 2793/4885
US-20050159469-A1 HIV protease inhibiting compounds SERPINB1, HPN, DNPEP SLC7A5 3808/4885ALPI 1220/4885PKM 2793/4885

“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.