SCHEMBL1300644

SCHEMBL1300644

COc1nc2c(cc1NCc1ccc(F)cc1F)c(=O)c(C(=O)O)cn2C(CO)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ METTL3 Q86U44 1/20 0.43
▸ PDE10A Q9Y233 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ XBP1 P17861 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ NFKB2 Q00653 1/20 0.34
▸ RELA Q04206 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ ZAP70 P43403 1/20 0.34
▸ KARS1 Q15046 1/20 0.34
▸ GSK3B P49841 2/20 0.33
▸ JAK3 P52333 1/20 0.33
▸ EPHA2 P29317 1/20 0.33
▸ FLT4 P35916 1/20 0.33
▸ RARB P10826 1/20 0.33

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
SCHEMBL1300638 1.00 METTL3 (0.43) METTL3PDE10AKDM4EALDH1A1LMNA
SCHEMBL1301563 0.94 METTL3 (0.45) METTL3PDE10AKDM4EALDH1A1LMNA
SCHEMBL1301560 0.94 METTL3 (0.45) METTL3PDE10AKDM4EALDH1A1LMNA
SCHEMBL1301276 0.91 METTL3 (0.47) METTL3PDE10AKDM4EALDH1A1GSK3B
SCHEMBL1301270 0.91 METTL3 (0.47) METTL3PDE10AKDM4EALDH1A1GSK3B
SCHEMBL1300298 0.91 METTL3 (0.43) METTL3LMNAGSK3B
SCHEMBL1300295 0.91 METTL3 (0.43) METTL3LMNAGSK3B
SCHEMBL1301826 0.91 METTL3 (0.45) METTL3LMNAGSK3BPIM1
SCHEMBL1301823 0.91 METTL3 (0.45) METTL3LMNAGSK3BPIM1
SCHEMBL1301312 0.91 METTL3 (0.45) METTL3PDE10ALMNAGSK3BJAK3

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-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-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

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 2011/4885KDM4E 656/4885
US-20110269741-A1 NOVEL COMPOSITIONS AND METHODS OF USE TYMP, SAMHD1, PNP METTL3 2709/4885PDE10A 2011/4885KDM4E 656/4885

“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.

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