SCHEMBL5882930

SCHEMBL5882930

[CH2]COc1c(CC(=O)OCNc2ccc(C#N)cc2)cc(CC)cc1C(=C)OCC

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
EGFR P00533 1/20 0.32
PDE5A O76074 2/20 0.31
MAPT P10636 5/20 0.31
RAF1 P04049 1/20 0.31
PDGFRB P09619 1/20 0.31
KIT P10721 1/20 0.31
FGFR1 P11362 1/20 0.31
BRAF P15056 1/20 0.31
KDR P35968 1/20 0.31
TEK Q02763 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
JAK3 P52333 1/20 0.31
SLC34A1 Q06495 1/20 0.31
CA12 O43570 1/20 0.31

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
SCHEMBL5883060 0.85 AR (0.34) MAPTKMT2AMEN1CA12CA1
SCHEMBL5882214 0.84 PGR (0.30)
SCHEMBL5882396 0.81 RORC (0.33) SMN1; SMN2MAPK1MAPTLMNA
SCHEMBL5882868 0.77 F2 (0.36)
SCHEMBL5882935 0.76 MAPT (0.33) TSHRSMN1; SMN2MAPK1NPSR1PDE5A
SCHEMBL5882849 0.73 IDO1 (0.36) TSHRNPSR1MAPTKMT2AMEN1
SCHEMBL5882093 0.68 F2 (0.38)
SCHEMBL5882241 0.66 L3MBTL1 (0.43) SMN1; SMN2MAPK1MAPTTDP1KMT2A
SCHEMBL16166309 0.63 POLB (0.57) SMN1; SMN2MAPK1MAPTKMT2AMEN1
SCHEMBL5883061 0.62 AR (0.34) MAPTKMT2AMEN1

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 TSHR 3764/4885SMN1; SMN2 2406/4885MAPK1 1188/4885
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS TSHR 3764/4885SMN1; SMN2 2406/4885MAPK1 1188/4885
US-20030083504-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS TSHR 3764/4885SMN1; SMN2 2406/4885MAPK1 1188/4885

“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.