SCHEMBL12108370

SCHEMBL12108370

COc1nc2c(cc1-c1ccc(F)cc1F)c(=O)c(C(=O)O)cn2[C@H](CO)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ METTL3 Q86U44 1/20 0.44
▸ EPHA2 P29317 1/20 0.36
▸ FLT4 P35916 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ RARB P10826 1/20 0.36
▸ TBXAS1 P24557 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.36
▸ LMNA P02545 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ XBP1 P17861 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ NFKB2 Q00653 1/20 0.35
▸ RELA Q04206 1/20 0.35
▸ DPP4 P27487 2/20 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
SCHEMBL12108361 0.90 METTL3 (0.46) METTL3LMNAKDM4EALDH1A1HPGD
SCHEMBL1300522 0.86 METTL3 (0.47) METTL3EPHA2FLT4GSK3BRARB
SCHEMBL12107933 0.86 METTL3 (0.51) METTL3EPHA2FLT4GSK3BRARB
SCHEMBL1300517 0.86 METTL3 (0.47) METTL3EPHA2FLT4GSK3BRARB
SCHEMBL12108366 0.84 METTL3 (0.59) METTL3GSK3BPRKAB2PRKAG1PRKAA2
SCHEMBL12110292 0.84 METTL3 (0.47) METTL3EPHA2FLT4GSK3BRARB
SCHEMBL12108387 0.84 METTL3 (0.46) METTL3GSK3BKDM4EALDH1A1HPGD
SCHEMBL13771684 0.84 METTL3 (0.48) METTL3PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL12108363 0.84 METTL3 (0.48) METTL3LMNADPP4CYP2C9ATP6V1B2
SCHEMBL12108368 0.84 METTL3 (0.48) METTL3PRKAB2PRKAG1PRKAA2PRKAA1

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 5 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 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
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 2709/4885EPHA2 3659/4885FLT4 4475/4885
US-20110269741-A1 NOVEL COMPOSITIONS AND METHODS OF USE TYMP, SAMHD1, PNP METTL3 2709/4885EPHA2 3659/4885FLT4 4475/4885

“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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