SCHEMBL1104939

SCHEMBL1104939

O=C(ON1C(=O)CCC1=O)c1cc(=O)cc2oc3cc(O)ccc3nc1-2

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
APP P05067 6/20 0.46
ESR1 P03372 11/20 0.34
ESR2 Q92731 11/20 0.34
MIF P14174 1/20 0.32
PFKFB3 Q16875 1/20 0.32
STS P08842 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
POLB P06746 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP1A2 P05177 1/20 0.31

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
SCHEMBL31500937 0.79 APP (0.57) APPESR1ESR2MEN1POLB
SCHEMBL1104938 0.73 APP (0.44) APPESR1ESR2MIFPFKFB3
SCHEMBL30267413 0.72 MIF (0.60) MIFPFKFB3MEN1NPC1RAB9A
SCHEMBL591197 0.72 MIF (0.60) MIFPFKFB3MEN1NPC1RAB9A
SCHEMBL29814693 0.71 APP (0.59) APPESR1ESR2MEN1NPC1
SCHEMBL12984911 0.69 APP (0.57) APPESR1ESR2MEN1POLB
SCHEMBL17716521 0.69 APP (0.57) APPESR1ESR2MEN1NPC1
SCHEMBL29352834 0.69 USP2 (0.56) MEN1POLBKMT2A
SCHEMBL6693395 0.69 USP2 (0.56) MEN1POLBKMT2A
SCHEMBL3728723 0.67 USP2 (0.57) ESR1MEN1POLBKMT2A

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-8153828-B2 Optical molecular sensors for cytochrome P450 activity Life Technologies Corporation (US) 2012-04-10 US disclosed
US-8153828-B2 Optical molecular sensors for cytochrome P450 activity Life Technologies Corporation (US) 2012-04-10 US disclosed
US-20100105095-A1 Optical Molecular Sensors for Cytochrome P450 Activity Life Technologies Corporation (US) 2010-04-29 US disclosed
US-20100105095-A1 Optical Molecular Sensors for Cytochrome P450 Activity Life Technologies Corporation (US) 2010-04-29 US disclosed
US-20080125586-A1 Optical molecular sensors for cytochrome P450 activity INVITROGEN CORPORATION (US) 2008-05-29 US disclosed
US-20080125586-A1 Optical molecular sensors for cytochrome P450 activity INVITROGEN CORPORATION (US) 2008-05-29 US disclosed
US-20070072256-A1 OPTICAL MOLECULAR SENSORS FOR CYTOCHROME P450 ACTIVITY INVITROGEN CORPORATION 2007-03-29 US disclosed
US-20070072256-A1 OPTICAL MOLECULAR SENSORS FOR CYTOCHROME P450 ACTIVITY INVITROGEN CORPORATION 2007-03-29 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 (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-20100105095-A1 Optical Molecular Sensors for Cytochrome P450 Activity CYP2J2, CYP1A2, CYP2B6 APP 3233/4885ESR1 321/4885ESR2 146/4885
US-20080125586-A1 Optical molecular sensors for cytochrome P450 activity CYP2J2, CYP1A2, CYP2B6 APP 3233/4885ESR1 321/4885ESR2 146/4885

“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.