SCHEMBL10264705

SCHEMBL10264705

O=C(O)CCNC(=O)c1c2oc3cc(O)ccc3nc-2ccc1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.44
AKR1B1 P15121 9/20 0.37
AKR1B10 O60218 8/20 0.37
DNM2 P50570 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
AKR1A1 P14550 2/20 0.36
CBR1 P16152 2/20 0.36
AKR1C4 P17516 2/20 0.36
AKR1C3 P42330 2/20 0.36
AKR1C2 P52895 2/20 0.36
AKR1C1 Q04828 2/20 0.36
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ESR1 P03372 2/20 0.35
ESR2 Q92731 2/20 0.35
LCK P06239 1/20 0.34
FYN P06241 1/20 0.34
GRB2 P62993 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL10205581 0.81 APP (0.55) APPAKR1B1LMNAESR1ESR2
SCHEMBL16181156 0.74 CA5A (0.42) L3MBTL1ESR1ALDH1A1GAAHPGD
SCHEMBL10123095 0.71 MAOB (0.34) NPC1RAB9ALMNATP53MAPT
SCHEMBL13212103 0.71 APP (0.57) APPAKR1B1NPC1RAB9AESR1
SCHEMBL15887430 0.70 APP (0.56) APPAKR1B1ESR1ESR2KDM4E
SCHEMBL1104938 0.70 APP (0.44) APPAKR1B1ESR1ESR2KDM4E
SCHEMBL4017544 0.68 APP (0.43) APPAKR1B1ESR1ESR2LCK
SCHEMBL4013705 0.68 APP (0.43) APPAKR1B1ESR1ESR2LCK
Butyric Acid SCHEMBL381472 0.68 APP (0.74) APPL3MBTL1ESR1ESR2KDM4E
Levulinic Acid SCHEMBL8512310 0.67 APP (0.73) APPL3MBTL1ESR1ESR2KDM4E

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-20090047692-A1 OPTICALLY-DETECTABLE ENZYME SUBSTRATES AND THEIR METHOD OF USE INVITROGEN CORPORATION (US) 2009-02-19 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 (4 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 APP 1835/4885AKR1B1 857/4885AKR1B10 897/4885
US-20170073359-A1 Optically-Detectable Enzyme Substrates and Their Method of Use MGAM, LCT, GAA APP 1835/4885AKR1B1 857/4885AKR1B10 897/4885
US-20130090470-A1 OPTICALLY-DETECTABLE ENZYME SUBSTRATES AND THEIR METHOD OF USE MGAM, LCT, GAA APP 1835/4885AKR1B1 857/4885AKR1B10 897/4885
US-20090047692-A1 OPTICALLY-DETECTABLE ENZYME SUBSTRATES AND THEIR METHOD OF USE MGAM, LCT, GAA APP 1835/4885AKR1B1 857/4885AKR1B10 897/4885

“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.