SCHEMBL5063453

SCHEMBL5063453

CC(NC(=O)c1cc(F)ccc1N)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 1/20 0.56
▸ ERAP1 Q9NZ08 1/20 0.47
▸ FADS1 O60427 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ CA2 P00918 3/20 0.42
▸ CA1 P00915 2/20 0.42
▸ MME P08473 1/20 0.41
▸ KDM4C Q9H3R0 1/20 0.40
▸ HDAC1 Q13547 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ CCKAR P32238 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ GCK P35557 1/20 0.39

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
SCHEMBL5063446 1.00 KEAP1 (0.56) KEAP1ERAP1FADS1ALDH1A1KDM4E
SCHEMBL31160842 0.85 KEAP1 (0.49) KEAP1FADS1ALDH1A1KDM4EHDAC1
SCHEMBL17774895 0.83 ALDH1A1 (0.44) ALDH1A1KDM4ECA2CA1KDM4C
SCHEMBL31372600 0.81 KEAP1 (0.44) KEAP1FADS1ALDH1A1KDM4E
SCHEMBL23440037 0.78 ALDH1A1 (0.69) FADS1ALDH1A1KDM4ECA2CA1
SCHEMBL1533823 0.78 ALDH1A1 (0.69) FADS1ALDH1A1KDM4ECA2CA1
SCHEMBL690577 0.77 KEAP1 (0.61) KEAP1FADS1ALDH1A1HDAC1GAA
SCHEMBL15610319 0.76 ALOX5 (0.48) ERAP1ALDH1A1KDM4ECA2CA1
SCHEMBL15610318 0.76 ALOX5 (0.48) ERAP1ALDH1A1KDM4ECA2CA1
SCHEMBL15610560 0.76 ALOX5 (0.48) ERAP1ALDH1A1KDM4ECA2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080161294-A1 Urea derivative, medicinal composition containing the same, and medicinal use of these KISSEI PHARMACEUTICAL CO., LTD. (JP) 2008-07-03 — — US disclosed
EP-1867639-A1 UREA DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND MEDICINAL USE OF THESE Kissei Pharmaceutical Co., Ltd. (JP) 2007-12-19 — — 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-20080161294-A1 Urea derivative, medicinal composition containing the same, and medicinal use of these AVPR2, UTS2R, GPR119 KEAP1 2330/4885ERAP1 1228/4885FADS1 1522/4885

“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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