SCHEMBL5882272

SCHEMBL5882272

CCSc1cc(C=O)ccc1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.58
TSHR P16473 1/20 0.58
FDPS P14324 1/20 0.54
AOX1 Q06278 1/20 0.53
HPGD P15428 4/20 0.49
TRIM24 O15164 1/20 0.49
ALDH5A1 P51649 1/20 0.49
ABAT P80404 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
TRIM33 Q9UPN9 1/20 0.49
MAPT P10636 4/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
TTR P02766 1/20 0.46
NPSR1 Q6W5P4 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
HTT P42858 2/20 0.44
LMNA P02545 1/20 0.44
RXFP1 Q9HBX9 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL8089382 0.83 CNR2 (0.53) ALDH1A1TSHRFDPSAOX1HPGD
SCHEMBL1965979 0.81 ALDH1A1 (0.63) ALDH1A1TSHRFDPSAOX1HPGD
SCHEMBL21738286 0.80 TTR (0.51) ALDH1A1TSHRFDPSAOX1HPGD
Hydrochloric Acid SCHEMBL1966184 0.79 ALDH1A1 (0.61) ALDH1A1TSHRFDPSAOX1HPGD
SCHEMBL2432443 0.75 ALDH1A1 (0.66) ALDH1A1TSHRFDPSAOX1HPGD
SCHEMBL29957052 0.75 ALDH1A1 (0.66) ALDH1A1TSHRFDPSAOX1HPGD
SCHEMBL16885084 0.75 LMNA (0.45) ALDH1A1HPGDMAPTL3MBTL1TTR
SCHEMBL13700993 0.75 ACHE (0.52) ALDH1A1TSHRHPGDTDP1MAPT
SCHEMBL27515961 0.75 ALDH1A1 (0.58) ALDH1A1TSHRHPGDTDP1MAPT
SCHEMBL5113878 0.74 TTR (0.55) ALDH1A1TSHRFDPSAOX1HPGD

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 ALDH1A1 2850/4885TSHR 3764/4885FDPS 4335/4885
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS ALDH1A1 2850/4885TSHR 3764/4885FDPS 4335/4885
US-20030083504-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS ALDH1A1 2850/4885TSHR 3764/4885FDPS 4335/4885

“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.