SCHEMBL5881886

SCHEMBL5881886

CCOc1c(OC=C=O)cc(OC)cc1C(Nc1ccc(C#N)cc1)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.37
F7 P08709 3/20 0.37
F3 P13726 3/20 0.37
PRSS1 P07477 2/20 0.37
PRSS2 P07478 2/20 0.37
PRSS3 P35030 2/20 0.37
POLB P06746 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
MCL1 Q07820 1/20 0.34
NPC1 O15118 3/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP1A2 P05177 1/20 0.34
RAB9A P51151 3/20 0.33
F2 P00734 2/20 0.33
MAPT P10636 3/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KCNA5 P22460 1/20 0.33

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
SCHEMBL5883998 0.89 F10 (0.42) F10F7F3PRSS1PRSS2
SCHEMBL5882392 0.82 HPGD (0.43) POLBMEN1KMT2AMCL1ALDH1A1
SCHEMBL5882735 0.82 L3MBTL1 (0.41) F10F7F3PRSS1PRSS2
SCHEMBL5882919 0.77 MEN1 (0.43) POLBMEN1KMT2AMCL1ALDH1A1
SCHEMBL3464005 0.77 F10 (0.43) F10F7F3PRSS1PRSS2
SCHEMBL5883488 0.76 MEN1 (0.42) F10POLBMEN1KMT2AMCL1
SCHEMBL5882576 0.75 MEN1 (0.47) POLBMEN1KMT2AMCL1ALDH1A1
SCHEMBL5881859 0.75 KMT2A (0.40) F10F7F3PRSS1PRSS2
SCHEMBL5882284 0.75 F10 (0.52) F10F7F3PRSS1PRSS2
SCHEMBL5882200 0.74 MEN1 (0.39) MEN1KMT2AMCL1ALDH1A1KDM4E

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 5 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
EP-1149069-B1 PHENYLGLYCINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2004-08-25 EP disclosed
US-20040034231-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives ACKERMANN JEAN (CH) 2004-02-19 US disclosed
EP-1149069-A1 PHENYLGLYCINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-10-31 EP disclosed
WO-2000035858-A1 PHENYLGLYCINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-06-22 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-20040034231-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS F10 520/4885F7 1019/4885F3 2017/4885

“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.