SCHEMBL3463337

SCHEMBL3463337

CCOc1cc(C(Nc2ccc(C(=N)N)cc2)C(=O)OC(=O)C(F)(F)F)ccc1OCCN(C)C

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F7 P08709 18/20 0.56
F10 P00742 14/20 0.56
PRSS1 P07477 12/20 0.56
F2 P00734 11/20 0.56
F3 P13726 9/20 0.55
PRSS2 P07478 7/20 0.55
PRSS3 P35030 7/20 0.55
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41

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
SCHEMBL3464316 0.92 F7 (0.62) F7F10PRSS1F2F3
SCHEMBL3464292 0.89 F7 (0.62) F7F10PRSS1F2F3
SCHEMBL14471249 0.89 F7 (0.62) F7F10PRSS1F2F3
Trifluoroacetic Acid SCHEMBL3463333 0.88 F7 (0.66) F7F10PRSS1F2F3
SCHEMBL5883911 0.86 F7 (0.72) F7F10PRSS1F2F3
Hydrochloric Acid SCHEMBL5882751 0.85 F7 (0.71) F7F10PRSS1F2F3
SCHEMBL13161872 0.85 F7 (0.66) F7F10PRSS1F2F3
SCHEMBL3464250 0.81 F7 (0.49) F7F10PRSS1F2F3
SCHEMBL3463555 0.81 F7 (0.59) F7F10PRSS1F2F3
Trifluoroacetic Acid SCHEMBL3463516 0.81 F7 (0.55) 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.