SCHEMBL5883277

SCHEMBL5883277

CC(C)(C)OC(=O)N=C(N)c1ccc(NC(C(=O)O)c2cc(OCc3ccccc3)ccc2OCC(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F7 P08709 12/20 0.46
F2 P00734 10/20 0.46
F10 P00742 10/20 0.46
PRSS1 P07477 10/20 0.46
F3 P13726 4/20 0.46
PRSS2 P07478 3/20 0.46
PRSS3 P35030 3/20 0.46
PPARD Q03181 4/20 0.39
PPARG P37231 2/20 0.39
LTA4H P09960 1/20 0.39
SGMS2 Q8NHU3 1/20 0.39
FFAR1 O14842 3/20 0.37

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
SCHEMBL5882810 0.89 F10 (0.39) F7F2F10PRSS1F3
SCHEMBL5883266 0.84 F7 (0.47) F7F2F10PRSS1F3
SCHEMBL5883704 0.83 F7 (0.61) F7F2F10PRSS1F3
SCHEMBL5883271 0.80 CYP1A2 (0.47)
SCHEMBL5883292 0.76 F10 (0.47) F7F2F10PRSS1F3
SCHEMBL5882700 0.76 F10 (0.52) F7F2F10PRSS1F3
SCHEMBL5882689 0.74 F10 (0.66) F7F2F10PRSS1F3
SCHEMBL5882705 0.74 F10 (0.66) F7F2F10PRSS1F3
SCHEMBL5883415 0.74 F10 (0.66) F7F2F10PRSS1F3
SCHEMBL5883297 0.73 KMT2A (0.46) F7F2F10PRSS1F3

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-7071212-B2 N-(4-carbamimidoyl-phenyl)-glycine derivatives HOFFMANN-LA ROCHE INC. (US) 2006-07-04 US disclosed
US-20040034231-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives ACKERMANN JEAN (CH) 2004-02-19 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-20040034231-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS F7 1019/4885F2 371/4885F10 520/4885

“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.