SCHEMBL17505885

SCHEMBL17505885

NC(Cn1cncn1)OC(=O)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ EGLN3 Q9H6Z9 1/20 0.38
▸ FDPS P14324 1/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ NLRP3 Q96P20 1/20 0.35
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL14489820 0.69 EGLN3 (0.50) EGLN3FDPSHDAC1HDAC6
SCHEMBL941137 0.69 EGLN3 (0.50) EGLN3FDPSHDAC1HDAC6
SCHEMBL503194 0.69 EGLN3 (0.50) EGLN3FDPSHDAC1HDAC6
SCHEMBL16343554 0.68 MEN1 (0.42) EGLN3
SCHEMBL460703 0.68 ALDH1A1 (0.34) CYP1A2
SCHEMBL16343100 0.68 MEN1 (0.42) EGLN3
SCHEMBL16323957 0.67 POLB (0.41) EGLN3FDPSHDAC1HDAC6
SCHEMBL22265176 0.67 EGLN3 (0.44) EGLN3CYP1A2NLRP3HDAC1HDAC6
SCHEMBL22265177 0.67 EGLN3 (0.44) EGLN3CYP1A2NLRP3HDAC1HDAC6
SCHEMBL27535957 0.67 EGLN3 (0.55) EGLN3FDPSHDAC1HDAC6

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
EP-2993167-A1 PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF DIABETES Ajinomoto Co., Inc. (JP) 2016-03-09 — — EP disclosed
US-20160046592-A1 PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF DIABETES AJINOMOTO CO., INC. (JP) 2016-02-18 — — 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-20160046592-A1 PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF DIABETES PPARG, GPR119, PPARA EGLN3 1293/4885FDPS 2039/4885CYP1A2 638/4885

“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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