SCHEMBL8751834

SCHEMBL8751834

O=C(O)c1cc(F)c(O)nc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 2/20 0.53
▸ NFE2L2 Q16236 1/20 0.53
▸ KDM4E B2RXH2 5/20 0.44
▸ ASPH Q12797 2/20 0.44
▸ KDM8 Q8N371 2/20 0.44
▸ ALB P02768 2/20 0.42
▸ AKR1C2 P52895 1/20 0.40
▸ AKR1C1 Q04828 1/20 0.40
▸ LMNA P02545 3/20 0.37
▸ HSD17B10 Q99714 3/20 0.37
▸ ACMSD Q8TDX5 2/20 0.37
▸ NAPRT Q6XQN6 1/20 0.36
▸ CA1 P00915 4/20 0.36
▸ CA2 P00918 4/20 0.36
▸ ALDH1A1 P00352 4/20 0.36
▸ HPGD P15428 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ DHFR P00374 1/20 0.36
▸ TTR P02766 1/20 0.36

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
SCHEMBL7535033 0.87 KEAP1 (0.50) KEAP1NFE2L2KDM4EASPHKDM8
SCHEMBL29220966 0.81 KEAP1 (0.48) KEAP1NFE2L2KDM4EASPHKDM8
SCHEMBL9687559 0.80 DGAT1 (0.42) KEAP1NFE2L2KDM4ELMNAHSD17B10
SCHEMBL9805668 0.80 SMN1; SMN2 (0.45) KEAP1NFE2L2KDM4EHSD17B10ALDH1A1
SCHEMBL14325635 0.77 KEAP1 (0.44) KEAP1NFE2L2KDM4EASPHKDM8
SCHEMBL10469514 0.77 KEAP1 (0.44) KEAP1NFE2L2KDM4EASPHKDM8
SCHEMBL13285595 0.76 IDO1 (0.44) KEAP1KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL8751819 0.75 CA12 (0.43) KDM4ELMNACA1CA2ALDH1A1
SCHEMBL1713733 0.75 KDM4E (0.54) KEAP1NFE2L2KDM4EASPHKDM8
SCHEMBL4830274 0.75 KEAP1 (0.54) KEAP1NFE2L2KDM4EASPHKDM8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0655998-B1 IMPROVED PROCESS FOR THE SYNTHESIS OF 2,6-DICHLORO-5-FLUORONICOTINIC ACID AND 2,6-DICHLORO-5-FLUORONICOTINOYL CHLORIDE WARNER LAMBERT CO (US) 1997-04-16 — — EP claimed
EP-2495243-B1 NOVEL 5-FLUOROURACIL DERIVATIVE DELTA-FLY PHARMA INC (JP) 2016-12-28 — — EP disclosed
US-8889699-B2 5-fluorouracil derivative DELTA-FLY PHARMA, INC. (JP) 2014-11-18 — — US disclosed
US-20120232103-A1 NOVEL 5-FLUOROURACIL DERIVATIVE DELTA-FLY PHARMA, INC. (JP) 2012-09-13 — — US disclosed
EP-2495243-A1 NOVEL 5-FLUOROURACIL DERIVATIVE Delta-Fly Pharma, Inc. (JP) 2012-09-05 — — EP disclosed
EP-0655998-B1 IMPROVED PROCESS FOR THE SYNTHESIS OF 2,6-DICHLORO-5-FLUORONICOTINIC ACID AND 2,6-DICHLORO-5-FLUORONICOTINOYL CHLORIDE WARNER LAMBERT CO (US) 1997-04-16 — — EP disclosed
EP-0655998-A1 IMPROVED PROCESS FOR THE SYNTHESIS OF 2,6-DICHLORO-5-FLUORONICOTINIC ACID AND 2,6-DICHLORO-5-FLUORONICOTINOYL CHLORIDE. WARNER LAMBERT CO (US) 1995-06-07 — — EP disclosed
WO-1994004501-A1 IMPROVED PROCESS FOR THE SYNTHESIS OF 2,6-DICHLORO-5-FLUORONICOTINIC ACID AND 2,6-DICHLORO-5-FLUORONICOTINOYL CHLORIDE WARNER-LAMBERT COMPANY (US) 1994-03-03 — — WO disclosed
US-5204478-A Process for the synthesis of 2,6-dichloro-5-fluoronicotinic acid and 2,6-dichloro-5-fluoronicotinoyl chloride WARNER-LAMBERT COMPANY (US) 1993-04-20 — — 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 (1 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-20120232103-A1 NOVEL 5-FLUOROURACIL DERIVATIVE DPYD, FAU, MTHFD1 KEAP1 2127/4885NFE2L2 972/4885KDM4E 2139/4885

“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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