SCHEMBL6827301

SCHEMBL6827301

CCOC(=O)C(CCCCNC(=O)OCc1ccccc1)CP(=O)(O)C(NC(=O)CCc1ccccc1)C(C)C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CPB2 Q96IY4 1/20 0.59
▸ HSD17B10 Q99714 1/20 0.51
▸ MMP3 P08254 3/20 0.48
▸ SIRT2 Q8IXJ6 1/20 0.46
▸ SIRT1 Q96EB6 1/20 0.46
▸ MMP8 P22894 1/20 0.45
▸ MMP14 P50281 1/20 0.45
▸ HDAC3 O15379 1/20 0.45
▸ HDAC4 P56524 1/20 0.45
▸ HDAC1 Q13547 1/20 0.45
▸ HDAC7 Q8WUI4 1/20 0.45
▸ HDAC2 Q92769 1/20 0.45
▸ HDAC10 Q969S8 1/20 0.45
▸ HDAC11 Q96DB2 1/20 0.45
▸ HDAC8 Q9BY41 1/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.45
▸ HDAC9 Q9UKV0 1/20 0.45
▸ HDAC5 Q9UQL6 1/20 0.45
▸ NCOR2 Q9Y618 1/20 0.45
▸ FOLH1 Q04609 3/20 0.44

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
SCHEMBL6827315 0.92 CPB2 (0.70) CPB2MMP3MMP8MMP14FOLH1
SCHEMBL6827305 0.80 CPB2 (0.49) CPB2MMP3FOLH1HTT
SCHEMBL6827308 0.80 CPB2 (0.49) CPB2MMP3FOLH1HTT
SCHEMBL14509143 0.78 CPB2 (0.83) CPB2MMP3HDAC3HDAC1HDAC2
SCHEMBL6827926 0.76 CPB2 (0.98) CPB2MMP3ANPEP
SCHEMBL6827930 0.76 CPB2 (0.98) CPB2MMP3ANPEP
SCHEMBL6824349 0.76 CPB2 (0.98) CPB2MMP3ANPEP
SCHEMBL6824195 0.75 CPB2 (1.00) CPB2MMP3ANPEP
SCHEMBL14542979 0.75 CPB2 (1.00) CPB2MMP3ANPEP
SCHEMBL10737546 0.74 HTT (0.51) HSD17B10MMP3SIRT2SIRT1HDAC3

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 8/4885HSD17B10 859/4885MMP3 229/4885

“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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