SCHEMBL5883229

SCHEMBL5883229

COc1cc(Br)cc(C=O)c1OCCO

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.62
▸ CYP1A2 P05177 1/20 0.62
▸ CYP2C19 P33261 1/20 0.62
▸ ERN1 O75460 8/20 0.56
▸ PRKDC P78527 1/20 0.42
▸ TUBB1 Q9H4B7 2/20 0.42
▸ MAPK1 P28482 1/20 0.40
▸ ALOX15 P16050 1/20 0.39
▸ ALOX12 P18054 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ PTGDR2 Q9Y5Y4 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ KMT2A Q03164 1/20 0.37

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
SCHEMBL38659181 0.83 ALDH1A1 (0.71) ALDH1A1CYP1A2CYP2C19ERN1PRKDC
SCHEMBL295318 0.82 ALDH1A1 (0.61) ALDH1A1CYP1A2CYP2C19ERN1PRKDC
SCHEMBL5883518 0.81 KMT2A (0.49) ALDH1A1CYP1A2CYP2C19ERN1PRKDC
SCHEMBL5882295 0.81 ALDH1A1 (0.72) ALDH1A1CYP1A2CYP2C19ERN1PRKDC
SCHEMBL127848 0.81 ERN1 (0.66) ALDH1A1CYP1A2CYP2C19ERN1PRKDC
SCHEMBL5882036 0.81 ALDH1A1 (0.44) ALDH1A1CYP1A2CYP2C19ERN1KDM4E
SCHEMBL4449204 0.80 CYP2C19 (0.60) ALDH1A1CYP1A2CYP2C19ERN1PRKDC
SCHEMBL7355863 0.78 ALDH1A1 (0.57) ALDH1A1CYP1A2CYP2C19ERN1PRKDC
SCHEMBL9153088 0.77 ALDH1A1 (0.67) ALDH1A1CYP1A2CYP2C19TUBB1MAPK1
SCHEMBL31432551 0.77 TUBB1 (0.42) ALDH1A1CYP1A2CYP2C19ERN1PRKDC

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 2850/4885CYP1A2 4088/4885CYP2C19 3378/4885
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS ALDH1A1 2850/4885CYP1A2 4088/4885CYP2C19 3378/4885
US-20030083504-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS ALDH1A1 2850/4885CYP1A2 4088/4885CYP2C19 3378/4885

“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.

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