SCHEMBL2531452

SCHEMBL2531452

CCN(CC)c1ccc2cc(C(=O)O)c(=O)oc2c1.COc1ccc2cc(C(=O)O)c(=O)oc2c1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.82
HPGD P15428 6/20 0.82
KDM4E B2RXH2 5/20 0.82
SLC16A3 O15427 3/20 0.82
SMN1; SMN2 Q16637 2/20 0.82
HSD17B10 Q99714 2/20 0.82
ALOX15 P16050 1/20 0.82
SLC16A1 P53985 1/20 0.82
MAOB P27338 5/20 0.67
MEN1 O00255 2/20 0.67
MAPT P10636 2/20 0.67
KMT2A Q03164 2/20 0.67
ATM Q13315 2/20 0.67
CYP2C19 P33261 2/20 0.67
USP2 O75604 1/20 0.67
CYP1A2 P05177 1/20 0.67
GAA P10253 3/20 0.61
CA12 O43570 2/20 0.61
CA2 P00918 2/20 0.61
CA3 P07451 2/20 0.61

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
SCHEMBL8595764 0.92 ALDH1A1 (0.68) ALDH1A1HPGDKDM4ESLC16A3SMN1; SMN2
SCHEMBL42693 0.91 ALDH1A1 (1.00) ALDH1A1HPGDKDM4ESLC16A3SMN1; SMN2
SCHEMBL29775307 0.91 ALDH1A1 (1.00) ALDH1A1HPGDKDM4ESLC16A3SMN1; SMN2
SCHEMBL6836549 0.87 MAOB (0.64) ALDH1A1HPGDKDM4ESLC16A3SMN1; SMN2
SCHEMBL203997 0.87 SLC16A3 (1.00) ALDH1A1HPGDKDM4ESLC16A3HSD17B10
SCHEMBL2028924 0.85 MAOB (0.76) ALDH1A1HPGDKDM4ESLC16A3SMN1; SMN2
SCHEMBL2911015 0.82 MAOB (0.80) ALDH1A1HPGDKDM4ESLC16A3SMN1; SMN2
SCHEMBL9643088 0.82 CYP2C19 (0.58) ALDH1A1HPGDKDM4ESLC16A3SMN1; SMN2
SCHEMBL51872 0.81 MEN1 (0.82) ALDH1A1HPGDKDM4ESLC16A3SMN1; SMN2
SCHEMBL29811188 0.81 MAOB (0.60) ALDH1A1HPGDKDM4ESLC16A3SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2303908-B1 FLUORESCENT CYCLIC PEPTIDES, METHODS FOR THE PREPARATION THEREOF, AND USE OF SAID PEPTIDES FOR MEASURING THE ENZYMATIC ACTIVITY OF A PROTEASE ENZYME COMMISSARIAT L ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2017-07-26 EP claimed
US-9139862-B2 Fluorescent cyclic peptides, preparation method thereof and use of these peptides for measuring the enzymatic activity of a protease enzyme COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2015-09-22 US disclosed
US-20110256567-A1 FLUORESCENT CYCLIC PEPTIDES, PREPARATION METHOD THEREOF AND USE OF THESE PEPTIDES FOR MEASURING THE ENZYMATIC ACTIVITY OF A PROTEASE ENZYME UNIVERSITE VICTOR SEGALEN - BORDEAUX 2 (FR) 2011-10-20 US 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-20110256567-A1 FLUORESCENT CYCLIC PEPTIDES, PREPARATION METHOD THEREOF AND USE OF THESE PEPTIDES FOR MEASURING THE ENZYMATIC ACTIVITY OF A PROTEASE ENZYME CTRL, PREP, PEPD ALDH1A1 3727/4885HPGD 1294/4885KDM4E 4740/4885

“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.