SCHEMBL6829374

SCHEMBL6829374

CC(C)[C@@H](NC(=O)C=Cc1ccc([N+](=O)[O-])cc1)P(=O)(OCc1ccccc1)OC(CCCCNC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.47
▸ TGM2 P21980 1/20 0.45
▸ APEX1 P27695 1/20 0.43
▸ KMT2A Q03164 2/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ DPP8 Q6V1X1 1/20 0.40
▸ DPP9 Q86TI2 1/20 0.40
▸ CTSL P07711 2/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ ELANE P08246 1/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ DRD3 P35462 1/20 0.39
▸ FOLH1 Q04609 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38

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
SCHEMBL6829375 1.00 MAPT (0.47) MAPTTGM2APEX1KMT2ACYP3A4
SCHEMBL6827321 0.78 FOLH1 (0.47) MAPTCA1CA2ELANEFOLH1
SCHEMBL6827330 0.78 FOLH1 (0.47) MAPTCA1CA2ELANEFOLH1
SCHEMBL6827235 0.78 FOLH1 (0.46) MAPTDPP8CA1CA2ELANE
SCHEMBL6827237 0.78 FOLH1 (0.46) MAPTDPP8CA1CA2ELANE
SCHEMBL6824120 0.76 DPP8 (0.51) TGM2DPP8DPP9CA1CA2
SCHEMBL6824125 0.76 DPP8 (0.51) TGM2DPP8DPP9CA1CA2
SCHEMBL6829510 0.75 ELANE (0.42) MAPTDPP8CA1CA2ELANE
SCHEMBL6829507 0.75 ELANE (0.42) MAPTDPP8CA1CA2ELANE
SCHEMBL6827234 0.74 CTSD (0.42) DPP8CTSLCA1CA2ELANE

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 MAPT 4606/4885TGM2 903/4885APEX1 2820/4885

“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.

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