SCHEMBL1300293

SCHEMBL1300293

COc1cc2c(cc1NCc1c(F)cccc1F)c(=O)c(C(=O)O)cn2[C@H](CO)C(C)C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ METTL3 Q86U44 1/20 0.61
▸ PDE10A Q9Y233 1/20 0.39
▸ GSK3B P49841 2/20 0.38
▸ POLB P06746 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ TOP1 P11387 3/20 0.35
▸ HPGD P15428 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TAAR1 Q96RJ0 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ PDE4A P27815 1/20 0.34
▸ PDE7A Q13946 1/20 0.34
▸ JAK2 O60674 3/20 0.34
▸ JAK1 P23458 3/20 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
SCHEMBL1300296 1.00 METTL3 (0.61) METTL3PDE10AGSK3BPOLBKDM4E
SCHEMBL1301640 0.92 METTL3 (0.55) METTL3PDE10AGSK3BPOLBKDM4E
SCHEMBL1301634 0.92 METTL3 (0.55) METTL3PDE10AGSK3BPOLBKDM4E
SCHEMBL3658625 0.91 METTL3 (0.49) METTL3PDE10AGSK3BPOLBKDM4E
SCHEMBL1300493 0.87 METTL3 (0.57) METTL3PDE10AKDM4ETOP1HPGD
SCHEMBL1300490 0.87 METTL3 (0.57) METTL3PDE10AKDM4ETOP1HPGD
SCHEMBL1301599 0.87 METTL3 (0.57) METTL3PDE10APOLBKDM4EGAA
SCHEMBL1301595 0.87 METTL3 (0.57) METTL3PDE10APOLBKDM4EGAA
SCHEMBL16302716 0.84 METTL3 (0.62) METTL3PDE10APOLBKDM4EHPGD
SCHEMBL12504058 0.84 METTL3 (0.48) METTL3POLBKDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110269741-A1 NOVEL COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES, INC. (US) 2011-11-03 — — US claimed
US-20110166123-A1 NOVEL COMPOSITIONS AND METHODS OF USE AARDEA BIOSCIENCES, INC. (US) 2011-07-07 — — US claimed
EP-2231665-A2 NOVEL COMPOSITIONS AND METHODS OF USE Ardea Biosciences, Inc. (US) 2010-09-29 — — EP claimed
WO-2009089263-A2 NOVEL COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES INC. (US) 2009-07-16 — — WO claimed
US-20110269741-A1 NOVEL COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES, INC. (US) 2011-11-03 — — US disclosed
US-20110269741-A1 NOVEL COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES, INC. (US) 2011-11-03 — — US disclosed
US-20110166123-A1 NOVEL COMPOSITIONS AND METHODS OF USE AARDEA BIOSCIENCES, INC. (US) 2011-07-07 — — US disclosed
US-20110166123-A1 NOVEL COMPOSITIONS AND METHODS OF USE AARDEA BIOSCIENCES, INC. (US) 2011-07-07 — — US disclosed
EP-2231665-A2 NOVEL COMPOSITIONS AND METHODS OF USE Ardea Biosciences, Inc. (US) 2010-09-29 — — EP disclosed
WO-2009089263-A2 NOVEL COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES INC. (US) 2009-07-16 — — WO disclosed
WO-2009089263-A2 NOVEL COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES INC. (US) 2009-07-16 — — WO 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-20110166123-A1 NOVEL COMPOSITIONS AND METHODS OF USE TYMP, SAMHD1, PNP METTL3 2709/4885PDE10A 2011/4885GSK3B 524/4885
US-20110269741-A1 NOVEL COMPOSITIONS AND METHODS OF USE TYMP, SAMHD1, PNP METTL3 2709/4885PDE10A 2011/4885GSK3B 524/4885

“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.

Send feedback