SCHEMBL3465095

SCHEMBL3465095

COc1cc(C(Nc2ccc(C(=N)N)cc2)C(=O)O)cc(OC)c1OC(=O)C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F7 P08709 20/20 0.56
F10 P00742 19/20 0.56
PRSS1 P07477 19/20 0.56
F2 P00734 17/20 0.56
F3 P13726 15/20 0.56
PRSS2 P07478 14/20 0.56
PRSS3 P35030 14/20 0.56

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
SCHEMBL3464288 0.87 F7 (0.51) F7F10PRSS1F2F3
SCHEMBL5567127 0.87 F7 (0.64) F7F10PRSS1F2F3
Hydrochloric Acid SCHEMBL3463181 0.86 F7 (0.63) F7F10PRSS1F2F3
Trifluoroacetic Acid SCHEMBL3465086 0.85 F7 (0.58) F7F10PRSS1F2F3
SCHEMBL3463459 0.83 F7 (0.47) F7F10PRSS1F2F3
SCHEMBL13161840 0.82 F7 (0.64) F7F10PRSS1F2F3
SCHEMBL5882591 0.82 F7 (0.59) F7F10PRSS1F2F3
SCHEMBL3463400 0.81 F7 (0.47) F7F10PRSS1F2F3
SCHEMBL3464526 0.81 F7 (0.44) F7F10PRSS1F2F3
SCHEMBL3464134 0.80 GAA (0.44) F7F10PRSS1F2F3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100240654-A1 HYDRAZIDE DERIVATIVES CLARK RICHARD 2010-09-23 US disclosed
US-20080132507-A1 Hydrazide Derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-06-05 US disclosed
EP-1810965-A1 HYDRAZIDE DERIVATIVES Eisai R&D Management Co., Ltd. (JP) 2007-07-25 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 (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-20100240654-A1 HYDRAZIDE DERIVATIVES H1-10, H1-4, H1-3 F7 185/4885F10 11/4885PRSS1 727/4885
US-20080132507-A1 Hydrazide Derivatives H1-10, H1-4, H1-3 F7 185/4885F10 11/4885PRSS1 727/4885

“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.