SCHEMBL6876242

SCHEMBL6876242

CCOc1cc(OC2CCN(C)CC2)c(F)c(C(Nc2ccc(C=NNC(=O)OC(C)(C)C)cc2)C(=O)O)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 8/20 0.65
PRSS1 P07477 7/20 0.47
PRSS2 P07478 7/20 0.47
F7 P08709 7/20 0.47
F3 P13726 7/20 0.47
PRSS3 P35030 7/20 0.47
F2 P00734 5/20 0.47
ALDH1A1 P00352 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 4/20 0.38
KDM4E B2RXH2 4/20 0.38
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
MIF P14174 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
RECQL P46063 2/20 0.37
ACHE P22303 2/20 0.37
LMNA P02545 1/20 0.35
POLB P06746 2/20 0.35
TDP1 Q9NUW8 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
SCHEMBL6877286 1.00 F10 (0.65) F10PRSS1PRSS2F7F3
SCHEMBL6871560 1.00 F10 (0.65) F10PRSS1PRSS2F7F3
SCHEMBL6866653 0.94 F10 (0.56) F10PRSS1PRSS2F7F3
SCHEMBL6871564 0.85 F10 (0.77) F10PRSS1PRSS2F7F3
SCHEMBL6877283 0.85 F10 (0.77) F10PRSS1PRSS2F7F3
SCHEMBL6871557 0.85 F10 (0.77) F10PRSS1PRSS2F7F3
SCHEMBL6872494 0.79 F10 (1.00) F10PRSS1PRSS2F7F3
SCHEMBL6875577 0.79 F10 (1.00) F10PRSS1PRSS2F7F3
SCHEMBL6874157 0.79 F10 (1.00) F10PRSS1PRSS2F7F3
SCHEMBL6866651 0.79 F10 (0.67) F10PRSS1PRSS2F7F3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1474391-A1 WATER SOLUBLE PHENYLGLYCINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-11-10 EP disclosed
US-6642386-B2 Having alkoxy, halo and piperidin-4-yl substituents; water soluble; coagulation factors Xa and IXa, thrombin induced factor VIIa and tissue factor inhibitors HOFFMANN-LA ROCHE INC. 2003-11-04 US disclosed
US-20030166683-A1 N-(4-CARBAMIMIDOYL-PHENYL)-GLYCINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-09-04 US disclosed
WO-2003066588-A1 WATER SOLUBLE PHENYLGLYCINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-08-14 WO 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-20030166683-A1 N-(4-CARBAMIMIDOYL-PHENYL)-GLYCINE DERIVATIVES F2, F12, F5 F10 7/4885PRSS1 62/4885PRSS2 191/4885

“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.