SCHEMBL5882080

SCHEMBL5882080

CCc1cc(Cl)cc(C=O)c1OCCO

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 7/20 0.41
ORAI1 Q96D31 1/20 0.40
CYP1A2 P05177 5/20 0.37
CYP2D6 P10635 3/20 0.37
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 1/20 0.33
CYP2C19 P33261 1/20 0.33
CYP2C9 P11712 1/20 0.33
GAA P10253 2/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL5883224 0.83 ORAI1 (0.56) ERN1ORAI1CYP1A2CYP2D6KMT2A
SCHEMBL5882036 0.82 ALDH1A1 (0.44) ERN1CYP1A2CYP2D6KMT2AALDH1A1
SCHEMBL5882948 0.77 ESR2 (0.33) KMT2AGAAHSD17B10
SCHEMBL5882164 0.75 ORAI1 (0.54) ERN1ORAI1CYP1A2CYP2D6KMT2A
SCHEMBL7294470 0.75 ORAI1 (0.49) ERN1ORAI1CYP1A2KMT2AALDH1A1
SCHEMBL5882817 0.74 SRC (0.42) ERN1CYP1A2KMT2AALDH1A1CYP2C19
SCHEMBL17513175 0.73 ORAI1 (0.56) ERN1ORAI1CYP1A2KMT2AALDH1A1
SCHEMBL16005185 0.72 ORAI1 (0.54) ERN1ORAI1CYP1A2KMT2AALDH1A1
SCHEMBL5883536 0.72 ERN1 (0.67) ERN1ALDH1A1HSD17B10
SCHEMBL5882235 0.72 ORAI1 (0.42) ERN1ORAI1CYP1A2KMT2AALDH1A1

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 ERN1 1281/4885ORAI1 1901/4885CYP1A2 4088/4885
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS ERN1 1281/4885ORAI1 1901/4885CYP1A2 4088/4885
US-20030083504-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS ERN1 1281/4885ORAI1 1901/4885CYP1A2 4088/4885

“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.