SCHEMBL4496453

SCHEMBL4496453

NC(=O)C(OC(=O)C(F)(F)F)c1cccnc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 1/20 0.43
MGLL Q99685 1/20 0.43
ABHD6 Q9BV23 1/20 0.43
F7 P08709 1/20 0.39
F3 P13726 1/20 0.39
SARM1 Q6SZW1 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
SIRT6 Q8N6T7 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
SIRT3 Q9NTG7 1/20 0.39
SIRT5 Q9NXA8 1/20 0.39
SIRT4 Q9Y6E7 1/20 0.39
ALDH1A1 P00352 2/20 0.39
HTT P42858 2/20 0.39
PLOD2 O00469 1/20 0.38
PLOD3 O60568 1/20 0.38
PLOD1 Q02809 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
F2 P00734 1/20 0.38
F10 P00742 1/20 0.38

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
SCHEMBL5892872 0.82 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2
SCHEMBL5329081 0.74 PLA2G7 (0.40) PLA2G7MGLLABHD6F7F3
SCHEMBL4222772 0.74 PARP1 (0.39) HTTSMN1; SMN2LMNAMAPK1
SCHEMBL19716861 0.74 LMNA (0.46) F7F3SARM1SIRT2SIRT6
Iodide SCHEMBL22558359 0.73 LMNA (0.50) ALDH1A1HTTSMN1; SMN2LMNAPOLB
SCHEMBL26098784 0.73 CES2 (0.42) ALDH1A1
SCHEMBL306372 0.72 F7 (0.53) F7F3SARM1SIRT2SIRT6
SCHEMBL3262463 0.72 NOTUM (0.44) F7F3SARM1SIRT2SIRT6
SCHEMBL362393 0.71 F7 (0.52) F7F3SARM1SIRT2SIRT6
SCHEMBL20054386 0.70 SMN1; SMN2 (0.46) PLA2G7MGLLABHD6F7F3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7569568-B2 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-08-04 US disclosed
US-20070032492-A1 Cytokine Inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-02-08 US disclosed
US-7166628-B2 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-01-23 US disclosed
EP-1567507-B1 1,2,3- TRIAZOLE AMIDE DERIVATIVES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMA (US) 2006-06-14 EP disclosed
EP-1567507-A1 1,2,3- TRIAZOLE AMIDE DERIVATIVES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2005-08-31 EP disclosed
WO-2004050642-A1 1, 2, 3- TRIAZOLE AMIDE DERIVATIVES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-06-17 WO disclosed
US-20040102492-A1 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-05-27 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 (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-20040102492-A1 Cytokine inhibitors IL1A, IL1B, IL1RN PLA2G7 607/4885MGLL 4431/4885ABHD6 3127/4885
US-20070032492-A1 Cytokine Inhibitors IL1B, IL1A, IL1RN PLA2G7 426/4885MGLL 4578/4885ABHD6 3069/4885

“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.