SCHEMBL12076397

SCHEMBL12076397

O=C(On1cc(F)c(=O)[nH]c1=O)c1cccc(C(=O)On2cc(F)c(=O)[nH]c2=O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 8/20 0.39
▸ CA9 Q16790 8/20 0.39
▸ CA1 P00915 6/20 0.39
▸ CA2 P00918 6/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ GRIA1 P42261 1/20 0.39
▸ GRIA2 P42262 1/20 0.39
▸ GRIA3 P42263 1/20 0.39
▸ GRIA4 P48058 1/20 0.39
▸ GRIK5 Q16478 1/20 0.39
▸ LMNA P02545 3/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ SLC2A1 P11166 1/20 0.33
▸ SLC2A4 P14672 1/20 0.33
▸ TK1 P04183 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ MAPK3 P27361 1/20 0.33
▸ ASAH1 Q13510 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
SCHEMBL27744847 0.75 LMNA (0.46) CA12CA9CA1CA2KDM4E
SCHEMBL28483586 0.74 LMNA (0.44) CA12CA9CA1CA2KDM4E
SCHEMBL24052575 0.72 TK1 (0.55) TK1
SCHEMBL27538958 0.72 LMNA (0.52) CA12CA9CA1CA2KDM4E
SCHEMBL28687653 0.72 LMNA (0.49) CA12CA9CA1CA2KDM4E
SCHEMBL27574601 0.70 KDM4E (0.44) KDM4ECYP1A2GRIA1GRIA2GRIA3
SCHEMBL28457833 0.70 LMNA (0.53) CA12CA9CA1CA2KDM4E
SCHEMBL11396309 0.68 TK1 (0.50) CA12CA9CA1CA2KDM4E
SCHEMBL11098174 0.67 TYMP (0.44) KDM4ECYP1A2GRIA1GRIA2GRIA3
SCHEMBL28661516 0.67 SQOR (0.50) KDM4ECYP1A2GRIA1GRIA2GRIA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 CA12 3948/4885CA9 3687/4885CA1 4136/4885

“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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