SCHEMBL5881970

SCHEMBL5881970

Cc1cc(C=O)c(OCC(=O)O)cc1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.58
PSEN1 P49768 1/20 0.44
PSEN2 P49810 1/20 0.44
APH1B Q8WW43 1/20 0.44
NCSTN Q92542 1/20 0.44
APH1A Q96BI3 1/20 0.44
PSENEN Q9NZ42 1/20 0.44
KDM4E B2RXH2 4/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
POLB P06746 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GLA P06280 1/20 0.42
MCL1 Q07820 1/20 0.41
HPGD P15428 1/20 0.41
PTPRB P23467 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL17967819 0.88 PTGDR2 (0.54) PTGDR2KDM4EMEN1ALDH1A1MAPT
SCHEMBL4241015 0.80 PTGDR2 (0.61) PTGDR2PSEN1PSEN2APH1BNCSTN
SCHEMBL5883468 0.80 L3MBTL1 (0.56) PTGDR2PSEN1PSEN2APH1BNCSTN
SCHEMBL1714794 0.80 PTGDR2 (0.68) PTGDR2KDM4EMEN1ALDH1A1MAPT
SCHEMBL18780289 0.80 KDM4E (0.49) PTGDR2KDM4EALDH1A1MAPTPOLB
SCHEMBL24498697 0.78 PTGDR2 (0.65) PTGDR2PSEN1PSEN2APH1BNCSTN
SCHEMBL5882317 0.78 L3MBTL1 (0.53) PTGDR2PSEN1PSEN2APH1BNCSTN
SCHEMBL20563979 0.76 PTGDR2 (0.58) PTGDR2KDM4EMEN1ALDH1A1MAPT
SCHEMBL11328128 0.76 PTGDR2 (0.58) PTGDR2KDM4EMEN1ALDH1A1MAPT
SCHEMBL18780641 0.75 TDP1 (0.59) PTGDR2KDM4EALDH1A1MAPTKMT2A

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 PTGDR2 1654/4885PSEN1 1001/4885PSEN2 1454/4885
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS PTGDR2 1654/4885PSEN1 1001/4885PSEN2 1454/4885
US-20030083504-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS PTGDR2 1654/4885PSEN1 1001/4885PSEN2 1454/4885

“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.