SCHEMBL6827355

SCHEMBL6827355

O=C(NCCCCC[C@@H](O)C(=O)O)OCc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.62
FOLH1 Q04609 5/20 0.62
HTT P42858 1/20 0.62
MMP2 P08253 1/20 0.58
MMP9 P14780 1/20 0.58
LMNA P02545 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
DPP8 Q6V1X1 1/20 0.57
DPP7 Q9UHL4 1/20 0.57
KEAP1 Q14145 1/20 0.56
NFE2L2 Q16236 1/20 0.56
SLC1A3 P43003 1/20 0.55
SLC1A1 P43005 1/20 0.55
ANPEP P15144 1/20 0.55

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
SCHEMBL6827174 1.00 TGM2 (0.62) TGM2FOLH1HTTMMP2MMP9
SCHEMBL6827180 1.00 TGM2 (0.62) TGM2FOLH1HTTMMP2MMP9
SCHEMBL318935 0.99 HTT (0.63) TGM2FOLH1HTTMMP2MMP9
SCHEMBL318936 0.99 HTT (0.63) TGM2FOLH1HTTMMP2MMP9
SCHEMBL6827224 0.99 HTT (0.63) TGM2FOLH1HTTMMP2MMP9
SCHEMBL2139878 0.94 HTT (0.65) TGM2FOLH1HTTMMP2MMP9
SCHEMBL2139876 0.94 HTT (0.65) TGM2FOLH1HTTMMP2MMP9
SCHEMBL11317170 0.94 HTT (0.65) TGM2FOLH1HTTMMP2MMP9
SCHEMBL6829468 0.92 TGM2 (0.62) TGM2FOLH1HTTMMP2MMP9
SCHEMBL16219553 0.89 TGM2 (0.65) TGM2FOLH1HTTMMP2MMP9

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 TGM2 903/4885FOLH1 73/4885HTT 3437/4885

“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.