SCHEMBL5882525

SCHEMBL5882525

CCOC(=O)COc1ccc(CC)cc1C(Nc1ccc(C#N)cc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
F10 P00742 2/20 0.37
PRSS1 P07477 2/20 0.37
PRSS2 P07478 2/20 0.37
F7 P08709 2/20 0.37
F3 P13726 2/20 0.37
PRSS3 P35030 2/20 0.37
F2 P00734 1/20 0.37
PSMB5 P28074 1/20 0.36
ALDH1A1 P00352 2/20 0.36
SQOR Q9Y6N5 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HIF1A Q16665 1/20 0.35
GLA P06280 1/20 0.35
HPGD P15428 1/20 0.35
P2RX3 P56373 1/20 0.35
PDE5A O76074 1/20 0.35
EPHX2 P34913 1/20 0.35

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
SCHEMBL5883360 0.90 PTGDR2 (0.43) KMT2AMAPTMEN1F10PRSS1
SCHEMBL5882928 0.89 F10 (0.41) KMT2AMAPTMEN1F10PRSS1
SCHEMBL5882365 0.88 F10 (0.40) KMT2AMAPTMEN1F10PRSS1
SCHEMBL5881873 0.88 L3MBTL1 (0.43) KMT2AMAPTF10PRSS1PRSS2
SCHEMBL5883096 0.87 F10 (0.38) KMT2AMAPTMEN1F10PRSS1
SCHEMBL5882980 0.86 POLB (0.42) KMT2AMAPTF10PRSS1PRSS2
SCHEMBL5882644 0.86 L3MBTL1 (0.43) KMT2AMAPTALDH1A1SQORHSD17B10
SCHEMBL5883187 0.86 F2 (0.45) KMT2AMEN1F10PRSS1PRSS2
SCHEMBL5883198 0.85 F10 (0.36) KMT2AMEN1F10PRSS1PRSS2
SCHEMBL5882725 0.84 F2 (0.50) KMT2AMAPTMEN1F10PRSS1

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 10 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
US-6683215-B2 TREATING THROMBOSIS, APOPLEXY, CARDIAC INFARCTION AND ARTERIOSCLEROSIS, WHICH ARE ASSOCIATED WITH COAGULATION FACTORS XA, IXA AND THROMBIN INDUCED BY FACTOR VIIA AND TISSUE FACTOR; ANTIINFLAMMATORY AGENTS HOFFMAN-LA ROCHE INC. 2004-01-27 US disclosed
US-20030083504-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives ACKERMANN JEAN (CH) 2003-05-01 US disclosed
US-6476264-B2 ANTICOAGULANT HOFFMANN-LA ROCHE INC. 2002-11-05 US disclosed
EP-1149069-A1 PHENYLGLYCINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-10-31 EP disclosed
US-6242644-B1 FOR TREATING THROMBOSIS, APOPLEXY, CARDIAC INFARCTION, INFLAMATION AND ARTHEROSCLEROSIS HOFFMANN-LA ROCHE INC. 2001-06-05 US disclosed
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives ACKERMANN JEAN (CH) 2001-05-24 US 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 (3 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 KMT2A 3023/4885MAPT 1417/4885MEN1 604/4885
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS KMT2A 3023/4885MAPT 1417/4885MEN1 604/4885
US-20030083504-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS KMT2A 3023/4885MAPT 1417/4885MEN1 604/4885

“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.