SCHEMBL5882010

SCHEMBL5882010

COc1ccc(OCC(=O)O)c(C=O)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.64
RAB9A P51151 1/20 0.64
PTGDR2 Q9Y5Y4 4/20 0.64
LMNA P02545 1/20 0.54
ERN1 O75460 1/20 0.53
ALDH1A1 P00352 3/20 0.52
MAPT P10636 2/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
POLB P06746 2/20 0.49
HSD17B10 Q99714 1/20 0.49
TRIM24 O15164 1/20 0.49
TYR P14679 1/20 0.49
TRIM33 Q9UPN9 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TUBB1 Q9H4B7 1/20 0.48
JUN P05412 1/20 0.48
NFKB1 P19838 1/20 0.48
ELANE P08246 1/20 0.47
PPARD Q03181 1/20 0.47

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
SCHEMBL7285781 0.89 PTGDR2 (0.69) KDM4ERAB9APTGDR2LMNAALDH1A1
SCHEMBL29707984 0.88 ALDH1A1 (0.63) KDM4ERAB9APTGDR2LMNAERN1
SCHEMBL7840891 0.88 ALDH1A1 (0.63) KDM4ERAB9APTGDR2LMNAERN1
SCHEMBL5883150 0.87 PTGDR2 (0.62) KDM4ERAB9APTGDR2ERN1ALDH1A1
SCHEMBL8121860 0.87 KDM4E (0.67) KDM4ERAB9APTGDR2LMNAERN1
SCHEMBL15330191 0.87 KDM4E (0.67) KDM4ERAB9APTGDR2LMNAERN1
SCHEMBL2554953 0.84 KDM4E (0.71) KDM4ERAB9APTGDR2ERN1ALDH1A1
SCHEMBL3643556 0.83 KDM4E (0.62) KDM4ERAB9APTGDR2LMNAERN1
SCHEMBL7165687 0.83 PPARA (0.55) KDM4ERAB9APTGDR2ERN1ALDH1A1
SCHEMBL15332229 0.82 KDM4E (0.58) KDM4ERAB9APTGDR2ERN1ALDH1A1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
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 KDM4E 1998/4885RAB9A 1477/4885PTGDR2 1654/4885
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS KDM4E 1998/4885RAB9A 1477/4885PTGDR2 1654/4885
US-20030083504-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS KDM4E 1998/4885RAB9A 1477/4885PTGDR2 1654/4885

“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.