SCHEMBL5883701

SCHEMBL5883701

O=Cc1cc(Br)cc(Br)c1OCC(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.59
ALDH1A1 P00352 5/20 0.49
AKR1B1 P15121 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49
ERN1 O75460 2/20 0.47
TSHR P16473 2/20 0.44
HSD17B10 Q99714 2/20 0.44
POLB P06746 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALOX15 P16050 1/20 0.44
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
WDR5 P61964 1/20 0.42
THRB P10828 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL2297743 0.84 PTGDR2 (0.56) PTGDR2ALDH1A1AKR1B1CYP1A2CYP2C19
SCHEMBL29951244 0.84 ERN1 (0.50) PTGDR2ALDH1A1AKR1B1CYP1A2CYP2C19
SCHEMBL8954486 0.84 AKR1B1 (0.57) PTGDR2ALDH1A1AKR1B1TSHRHSD17B10
SCHEMBL5882295 0.82 ALDH1A1 (0.72) PTGDR2ALDH1A1AKR1B1CYP1A2CYP2C19
SCHEMBL5883518 0.79 KMT2A (0.49) PTGDR2ALDH1A1CYP1A2CYP2C19ERN1
SCHEMBL7815397 0.78 LMNA (0.54) PTGDR2ALDH1A1CYP1A2CYP2C19ERN1
SCHEMBL2559200 0.78 ALDH1A1 (0.56) PTGDR2ALDH1A1AKR1B1TSHRHSD17B10
SCHEMBL2561402 0.77 PTGDR2 (0.57) PTGDR2ALDH1A1TSHRHSD17B10POLB
SCHEMBL19381723 0.75 ERN1 (0.44) PTGDR2ALDH1A1CYP1A2CYP2C19ERN1
SCHEMBL11685931 0.75 MAPT (0.68) ERN1GAAMAPTHPGDTHRB

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 1654/4885ALDH1A1 2850/4885AKR1B1 3389/4885
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS PTGDR2 1654/4885ALDH1A1 2850/4885AKR1B1 3389/4885
US-20030083504-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS PTGDR2 1654/4885ALDH1A1 2850/4885AKR1B1 3389/4885

“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.