SCHEMBL5881879

SCHEMBL5881879

CCOC(C=O)Oc1ccc(OC)cc1C(Nc1ccc(C#N)cc1)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
MCL1 Q07820 1/20 0.36
ALDH1A1 P00352 3/20 0.35
MAPT P10636 3/20 0.35
GAA P10253 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
F10 P00742 1/20 0.35
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
F7 P08709 1/20 0.35
F3 P13726 1/20 0.35
PRSS3 P35030 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
RXFP1 Q9HBX9 1/20 0.34
ALPL P05186 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 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
SCHEMBL5883996 0.88 F2 (0.43) KMT2AALDH1A1GAARAB9AF10
SCHEMBL5882576 0.83 MEN1 (0.47) MEN1KMT2AMCL1ALDH1A1MAPT
SCHEMBL5881873 0.80 L3MBTL1 (0.43) KMT2AALDH1A1MAPTGAANPC1
SCHEMBL5883814 0.75 F10 (0.42) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL5882478 0.74 F10 (0.46) MEN1KMT2AALDH1A1MAPTNPC1
SCHEMBL5882928 0.74 F10 (0.41) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL5883565 0.73 MMP2 (0.41) MEN1KMT2AMCL1ALDH1A1MAPT
SCHEMBL5882919 0.73 MEN1 (0.43) MEN1KMT2AMCL1ALDH1A1MAPT
SCHEMBL5881886 0.73 F10 (0.37) MEN1KMT2AMCL1ALDH1A1MAPT
SCHEMBL5883488 0.72 MEN1 (0.42) MEN1KMT2AMCL1ALDH1A1MAPT

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 MEN1 604/4885KMT2A 3023/4885MCL1 2646/4885

“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.