SCHEMBL6827318

SCHEMBL6827318

NC(=NC(=O)OCc1ccccc1)N(CCC[C@H](O)C(=O)O)C(=O)OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.39
CCR6 P51684 1/20 0.38
PAX8 Q06710 1/20 0.38
CHRM2 P08172 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
ABCB1 P08183 1/20 0.35
ALDH1A1 P00352 3/20 0.35
KMT2A Q03164 2/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A3 Q01959 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
SLC1A3 P43003 3/20 0.34
SLC1A1 P43005 3/20 0.34
FOLH1 Q04609 1/20 0.34
AOC3 Q16853 2/20 0.33
SLC1A2 P43004 2/20 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
SCHEMBL12503505 0.94 CCR6 (0.36) CTSLCCR6PAX8ABCB1ALDH1A1
SCHEMBL570911 0.94 CCR6 (0.36) CTSLCCR6PAX8ABCB1ALDH1A1
SCHEMBL989683 0.88 CCR6 (0.45) CCR6PAX8CHRM2CHRM5CHRM1
SCHEMBL7359299 0.85 HTT (0.44) CTSLCCR6PAX8ALDH1A1KMT2A
SCHEMBL7355009 0.84 CTSL (0.51) CTSLFOLH1
SCHEMBL29398620 0.84 CTSL (0.51) CTSLFOLH1
SCHEMBL8039587 0.84 CCR6 (0.42) CCR6PAX8ALDH1A1KMT2AMAPK1
SCHEMBL7352897 0.84 HTT (0.43) CTSLCCR6PAX8ALDH1A1KMT2A
SCHEMBL8203294 0.84 CTSL (0.44) CTSL
SCHEMBL7242187 0.83 HTT (0.42) CTSLCCR6PAX8ALDH1A1KMT2A

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-6737416-B2 THROMBOLYTIC AGENT HAVING HIGHER SAFETY MEIJI SEIKA KAISHA LTD. (JP) 2004-05-18 US disclosed
US-20030119787-A1 Phosphonic acid derivative having inhibitory activity against carboxypeptidase B MEIJI SEIKA KAISHA LTD. (JP) 2003-06-26 US disclosed
US-6576627-B1 Such as 7-amino-2-((2-methyl-1-(3-phenylpropanoylamino)-propyl)hydroxyphosphinoyl) -methylheptanoic acid; thrombotic disease MEIJI SEIKA KAISHA LTD. (JP) 2003-06-10 US disclosed
EP-1152004-B1 Phosphonic acid derivatives having carboxypeptidase B inhibitory action MEIJI SEIKA KAISHA (JP) 2003-05-07 EP disclosed
EP-1174434-A1 Phosphonic acid derivative having inhibitory activity against carboxypeptidase B MEIJI SEIKA KAISHA LTD. (JP) 2002-01-23 EP disclosed
EP-1152004-A1 PHOSPHONIC ACID DERIVATIVES HAVING CARBOXYPEPTIDASE B INHIBITORY ACTIVITY MEIJI SEIKA KAISHA LTD. (JP) 2001-11-07 EP 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-20030119787-A1 Phosphonic acid derivative having inhibitory activity against carboxypeptidase B CPB1, RNPEP, CPN1 CTSL 60/4885CCR6 1597/4885PAX8 4659/4885

“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.