SCHEMBL6827328

SCHEMBL6827328

CC(C)C(NC(=O)CCc1ccccc1)P(=O)(O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CPB2 Q96IY4 1/20 0.58
▸ MMP2 P08253 1/20 0.54
▸ MMP7 P09237 1/20 0.54
▸ MMP9 P14780 1/20 0.54
▸ MMP8 P22894 1/20 0.54
▸ MMP13 P45452 1/20 0.54
▸ MMP14 P50281 1/20 0.54
▸ HDAC2 Q92769 1/20 0.50
▸ HDAC8 Q9BY41 1/20 0.50
▸ HDAC6 Q9UBN7 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ RAB9A P51151 1/20 0.49
▸ ALDH1A1 P00352 2/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ MAPT P10636 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ HDAC1 Q13547 1/20 0.47

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
SCHEMBL25556928 0.80 HDAC2 (0.58) HDAC2HDAC8HDAC6SMN1; SMN2RAB9A
SCHEMBL7772333 0.79 ALDH1A1 (0.66) HDAC2HDAC8HDAC6SMN1; SMN2RAB9A
SCHEMBL6827187 0.78 CPB2 (0.59) CPB2MMP2MMP7MMP9MMP8
SCHEMBL6827191 0.78 CPB2 (0.59) CPB2MMP2MMP7MMP9MMP8
SCHEMBL5711363 0.77 ALDH1A1 (0.56) CPB2HDAC2HDAC8HDAC6SMN1; SMN2
SCHEMBL6446379 0.77 ALDH1A1 (0.56) CPB2HDAC2HDAC8HDAC6SMN1; SMN2
SCHEMBL4156227 0.76 MEN1 (0.62) HDAC2HDAC8HDAC6SMN1; SMN2MEN1
SCHEMBL21341573 0.76 HDAC2 (0.58) HDAC2HDAC8HDAC6SMN1; SMN2RAB9A
SCHEMBL4323367 0.76 MEN1 (0.62) HDAC2HDAC8HDAC6SMN1; SMN2MEN1
SCHEMBL6827926 0.76 CPB2 (0.98) CPB2

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 CPB2 8/4885MMP2 108/4885MMP7 218/4885

“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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