SCHEMBL638640

SCHEMBL638640

O=C(O)CC(Cc1ccccc1)C(=O)OC(=O)C(CC(=O)O)Cc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CPA1 P15085 4/20 0.70
CPA3 P15088 3/20 0.70
CPB1 P15086 1/20 0.70
CPB2 Q96IY4 1/20 0.70
CYP1A2 P05177 1/20 0.57
LTA4H P09960 2/20 0.54
MMP2 P08253 1/20 0.53
MMP9 P14780 1/20 0.53
MMP12 P39900 1/20 0.53
FOLH1 Q04609 2/20 0.50
MME P08473 1/20 0.48

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
SCHEMBL9848631 0.88 CYP1A2 (0.65) CPA1CPA3CPB1CPB2CYP1A2
SCHEMBL7410516 0.87 CPA1 (0.68) CPA1CPA3CPB1CPB2CYP1A2
SCHEMBL7354310 0.86 CPA3 (0.66) CPA1CPA3CPB1CPB2CYP1A2
SCHEMBL2398335 0.86 CPA1 (0.66) CPA1CPA3CPB1CPB2CYP1A2
SCHEMBL8399603 0.86 CPA3 (0.66) CPA1CPA3CPB1CPB2CYP1A2
SCHEMBL7289839 0.86 CPA3 (0.66) CPA1CPA3CPB1CPB2CYP1A2
SCHEMBL1914987 0.86 CPA1 (0.66) CPA1CPA3CPB1CPB2CYP1A2
SCHEMBL901408 0.86 CPA1 (0.66) CPA1CPA3CPB1CPB2CYP1A2
SCHEMBL9226958 0.84 CPA3 (0.64) CPA1CPA3CPB1CPB2CYP1A2
SCHEMBL8106533 0.83 CYP1A2 (0.59) CPA1CPA3CPB1CPB2CYP1A2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9045414-B2 Pyrrolidin-2-ones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-06-02 US disclosed
EP-2346852-B1 PYRROLIDIN-2-ONES AS HDM2 LIGANDS BOEHRINGER INGELHEIM INT (DE) 2015-02-25 EP disclosed
US-20120122839-A1 NOVEL PYRROLIDIN-2-ONES PRIAXON AG (DE) 2012-05-17 US disclosed
US-8119623-B2 Pyrrolidin-2-ones PRIAXON AG (DE) 2012-02-21 US disclosed
EP-2346852-A1 PYRROLIDIN-2-ONES AS HDM2 LIGANDS Priaxon AG (DE) 2011-07-27 EP disclosed
US-20100075949-A1 NOVEL PYRROLIDIN-2-ONES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-25 US disclosed
WO-2010028862-A1 PYRROLIDIN-2-ONES AS HDM2 LIGANDS PRIAXON AG (DE) 2010-03-18 WO 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 (2 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-20100075949-A1 NOVEL PYRROLIDIN-2-ONES ING2, HMGB2, API5 CPA1 3289/4885CPA3 4357/4885CPB1 1749/4885
US-20120122839-A1 NOVEL PYRROLIDIN-2-ONES ING2, HMGB2, API5 CPA1 3289/4885CPA3 4357/4885CPB1 1749/4885

“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.