SCHEMBL621763

SCHEMBL621763

CCOC(=O)C(CC)(NC(=O)c1ccccc1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
RECQL P46063 1/20 0.52
MAPK1 P28482 3/20 0.51
KMT2A Q03164 4/20 0.49
ATM Q13315 2/20 0.47
MEN1 O00255 2/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
NPC1 O15118 1/20 0.47
GAA P10253 1/20 0.47
RAB9A P51151 1/20 0.47
POLB P06746 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
PIN1 Q13526 1/20 0.44
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL8981616 0.87 POLB (0.46) ALDH1A1MAPK1KMT2AMEN1SMN1; SMN2
SCHEMBL5855727 0.80 ATM (0.54) ALDH1A1RECQLMAPK1KMT2AATM
SCHEMBL10980611 0.79 MAPT (0.52) ALDH1A1RECQLMAPK1KMT2AATM
SCHEMBL5858418 0.79 MAPK1 (0.48) ALDH1A1RECQLMAPK1KMT2AATM
SCHEMBL5858423 0.79 MAPK1 (0.48) ALDH1A1RECQLMAPK1KMT2AATM
SCHEMBL6741449 0.79 NPC1 (0.48) ALDH1A1RECQLMAPK1KMT2AATM
SCHEMBL5856049 0.79 ATM (0.53) ALDH1A1RECQLMAPK1KMT2AATM
SCHEMBL18196123 0.79 MAPK1 (0.48) ALDH1A1RECQLMAPK1KMT2AATM
SCHEMBL16097699 0.78 MAPK1 (0.50) ALDH1A1RECQLMAPK1KMT2AATM
SCHEMBL5855427 0.78 MAPK1 (0.47) ALDH1A1RECQLMAPK1KMT2AATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170073359-A1 Optically-Detectable Enzyme Substrates and Their Method of Use MOLECULAR PROBES, INC. 2017-03-16 US disclosed
US-20160139135-A1 Optically-Detectable Enzyme Substrates and Their Method of Use LIFE TECHNOLOGIES CORP (US) 2016-05-19 US disclosed
US-8865891-B2 Optically-detectable enzyme substrates and their method of use Life Technologies Corporation (US) 2014-10-21 US disclosed
US-20130090470-A1 OPTICALLY-DETECTABLE ENZYME SUBSTRATES AND THEIR METHOD OF USE Life Technologies Corporation (US) 2013-04-11 US disclosed
US-8318450-B2 Optically-detectable enzyme substrates and their method of use Life Technologies Corporation (US) 2012-11-27 US disclosed
US-20120040380-A1 OPTICALLY-DETECTABLE ENZYME SUBSTRATES AND THEIR METHOD OF USE Life Technologies Corporation (US) 2012-02-16 US disclosed
US-20090047692-A1 OPTICALLY-DETECTABLE ENZYME SUBSTRATES AND THEIR METHOD OF USE INVITROGEN CORPORATION (US) 2009-02-19 US disclosed
US-20050227309-A1 Optically-detectable enzyme substrates and their method of use MOLECULAR PROBES, INC. 2005-10-13 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 (5 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-20160139135-A1 Optically-Detectable Enzyme Substrates and Their Method of Use MGAM, LCT, GAA ALDH1A1 310/4885RECQL 3033/4885MAPK1 4586/4885
US-20170073359-A1 Optically-Detectable Enzyme Substrates and Their Method of Use MGAM, LCT, GAA ALDH1A1 310/4885RECQL 3033/4885MAPK1 4586/4885
US-20130090470-A1 OPTICALLY-DETECTABLE ENZYME SUBSTRATES AND THEIR METHOD OF USE MGAM, LCT, GAA ALDH1A1 310/4885RECQL 3033/4885MAPK1 4586/4885
US-20090047692-A1 OPTICALLY-DETECTABLE ENZYME SUBSTRATES AND THEIR METHOD OF USE MGAM, LCT, GAA ALDH1A1 310/4885RECQL 3033/4885MAPK1 4586/4885
US-20050227309-A1 Optically-detectable enzyme substrates and their method of use MGAM, LCT, GAA ALDH1A1 310/4885RECQL 3033/4885MAPK1 4586/4885

“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.