SCHEMBL3035638

SCHEMBL3035638

COc1cccc(-c2nc(OS(=O)(=O)C(F)(F)F)co2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.45
RAB9A P51151 7/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
TP53 P04637 4/20 0.45
TDP1 Q9NUW8 2/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
PDE4B Q07343 2/20 0.45
HPGD P15428 4/20 0.44
KDM4E B2RXH2 3/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ALDH1A1 P00352 4/20 0.44
NOTUM Q6P988 2/20 0.44
KMT2A Q03164 3/20 0.44
F2 P00734 1/20 0.44
MAPT P10636 3/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL1003937 0.85 ENPP3 (0.49) NPC1RAB9ASMN1; SMN2TP53PDE4B
SCHEMBL1003043 0.84 PDE4B (0.42) TP53PDE4BNOTUMPTGS2
SCHEMBL84528 0.83 ALDH1A1 (0.42) NPC1RAB9ATP53PDE4BALDH1A1
SCHEMBL3707228 0.83 ALDH1A1 (0.42) NPC1RAB9ATP53PDE4BALDH1A1
SCHEMBL5836387 0.82 ENPP3 (0.46) NPC1RAB9ASMN1; SMN2TP53PDE4B
SCHEMBL1001323 0.78 PDE4A (0.36) CA2PTGS2
SCHEMBL1004940 0.77 HDAC1 (0.42) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL6168616 0.77 HDAC1 (0.41) NPC1RAB9ASMN1; SMN2TP53PDE4B
SCHEMBL1002474 0.76 PDE4A (0.33) CA2
SCHEMBL68227 0.76 HDAC1 (0.43) NPC1RAB9ASMN1; SMN2TP53PDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100150833-A1 COMPOUNDS AND AMYLOID PROBES THEREOF FOR THERAPEUTIC AND IMAGING USES MOLECULAR NEUROIMAGING, LLC 2010-06-17 US disclosed
US-20100150833-A1 COMPOUNDS AND AMYLOID PROBES THEREOF FOR THERAPEUTIC AND IMAGING USES MOLECULAR NEUROIMAGING, LLC 2010-06-17 US disclosed
US-20100150833-A1 COMPOUNDS AND AMYLOID PROBES THEREOF FOR THERAPEUTIC AND IMAGING USES MOLECULAR NEUROIMAGING, LLC 2010-06-17 US disclosed
US-20100143253-A1 COMPOUNDS AND AMYLOID PROBES THEREOF FOR THERAPEUTIC AND IMAGING USES MOLECULAR NEUROIMAGING, LLC 2010-06-10 US disclosed
US-20100143253-A1 COMPOUNDS AND AMYLOID PROBES THEREOF FOR THERAPEUTIC AND IMAGING USES MOLECULAR NEUROIMAGING, LLC 2010-06-10 US disclosed
US-20100143253-A1 COMPOUNDS AND AMYLOID PROBES THEREOF FOR THERAPEUTIC AND IMAGING USES MOLECULAR NEUROIMAGING, LLC 2010-06-10 US disclosed
US-20100143251-A1 COMPOUNDS AND AMYLOID PROBES THEREOF FOR THERAPEUTIC AND IMAGING USES MOLECULAR NEUROIMAGING, LLC 2010-06-10 US disclosed
US-7700616-B2 Compounds and amyloid probes thereof for therapeutic and imaging uses MOLECULAR NEUROIMAGING, LLC. (US) 2010-04-20 US disclosed
US-7700616-B2 Compounds and amyloid probes thereof for therapeutic and imaging uses MOLECULAR NEUROIMAGING, LLC. (US) 2010-04-20 US disclosed
US-7700616-B2 Compounds and amyloid probes thereof for therapeutic and imaging uses MOLECULAR NEUROIMAGING, LLC. (US) 2010-04-20 US disclosed
EP-2023919-A2 COMPOUNDS AND AMYLOID PROBES THEREOF FOR THERAPEUTIC AND IMAGING USES Molecular Neuroimaging, LLC (US) 2009-02-18 EP disclosed
WO-2008118122-A2 COMPOUNDS AND AMYLOID PROBES THEREOF FOR THERAPEUTIC AND IMAGING USES MOLECULAR NEUROIMAGING, LLC (US) 2008-10-02 WO disclosed
WO-2008118122-A2 COMPOUNDS AND AMYLOID PROBES THEREOF FOR THERAPEUTIC AND IMAGING USES MOLECULAR NEUROIMAGING, LLC (US) 2008-10-02 WO disclosed
US-20070258887-A1 Compounds and amyloid probes thereof for therapeutic and imaging uses MOLECULAR NEUROIMAGING, LLC. 2007-11-08 US disclosed
US-20070258887-A1 Compounds and amyloid probes thereof for therapeutic and imaging uses MOLECULAR NEUROIMAGING, LLC. 2007-11-08 US disclosed
US-20070258887-A1 Compounds and amyloid probes thereof for therapeutic and imaging uses MOLECULAR NEUROIMAGING, LLC. 2007-11-08 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-20070258887-A1 Compounds and amyloid probes thereof for therapeutic and imaging uses APP, BACE1, BACE2 NPC1 160/4885RAB9A 4657/4885SMN1; SMN2 1088/4885
US-20100143253-A1 COMPOUNDS AND AMYLOID PROBES THEREOF FOR THERAPEUTIC AND IMAGING USES APP, BACE1, BACE2 NPC1 160/4885RAB9A 4657/4885SMN1; SMN2 1088/4885
US-20100150833-A1 COMPOUNDS AND AMYLOID PROBES THEREOF FOR THERAPEUTIC AND IMAGING USES APP, BACE1, BACE2 NPC1 160/4885RAB9A 4657/4885SMN1; SMN2 1088/4885
US-20100143251-A1 COMPOUNDS AND AMYLOID PROBES THEREOF FOR THERAPEUTIC AND IMAGING USES APP, BACE1, BACE2 NPC1 160/4885RAB9A 4657/4885SMN1; SMN2 1088/4885

“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.