SCHEMBL4376307

SCHEMBL4376307

COc1cc(Cl)c(O)c(C=O)c1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 18/20 0.58
TRIM24 O15164 1/20 0.49
TYR P14679 1/20 0.49
TRIM33 Q9UPN9 1/20 0.49
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL7285302 0.86 ERN1 (0.62) ERN1TRIM24TYRTRIM33ALDH1A1
SCHEMBL28292328 0.81 ERN1 (0.61) ERN1TRIM24TYRTRIM33ALDH1A1
SCHEMBL3645435 0.81 ERN1 (0.61) ERN1TRIM24TYRTRIM33ALDH1A1
SCHEMBL28282933 0.81 ERN1 (0.56) ERN1TRIM24TYRTRIM33ALDH1A1
SCHEMBL29025470 0.80 CYP3A4 (0.50) ALDH1A1
SCHEMBL118908 0.79 ERN1 (0.68) ERN1ALDH1A1
SCHEMBL13855640 0.79 ERN1 (0.55) ERN1TRIM24TYRTRIM33ALDH1A1
SCHEMBL931983 0.79 ERN1 (0.60) ERN1TRIM24TYRTRIM33ALDH1A1
SCHEMBL3928147 0.78 ERN1 (0.58) ERN1TRIM24TYRTRIM33ALDH1A1
SCHEMBL13980464 0.78 ERN1 (0.53) ERN1TRIM24TYRTRIM33ALDH1A1

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12012466-B2 Peptide macrocycles against Acinetobacter baumannii HOFFMANN-LA ROCHE INC. (US) 2024-06-18 US disclosed
US-20220411468-A1 PEPTIDE MACROCYCLES AGAINST ACINETOBACTER BAUMANNII HOFFMANN-LA ROCHE INC. (US) 2022-12-29 US disclosed
CN-108350028-B Peptide macrocycles against Acinetobacter baumannii 豪夫迈·罗氏有限公司 2021-12-07 CN disclosed
EP-3368544-B1 PEPTIDE MACROCYCLES AGAINST ACINETOBACTER BAUMANNII HOFFMANN LA ROCHE (CH) 2020-06-17 EP disclosed
US-20180362578-A1 PEPTIDE MACROCYCLES AGAINST ACINETOBACTER BAUMANNII HOFFMANN-LA ROCHE INC. (US) 2018-12-20 US disclosed
EP-3368544-A1 PEPTIDE MACROCYCLES AGAINST ACINETOBACTER BAUMANNII H. Hoffnabb-La Roche Ag (CH) 2018-09-05 EP disclosed
CN-108350028-A PEPTIDE MACROCYCLES AGAINST ACINETOBACTER BAUMANNII 豪夫迈·罗氏有限公司 2018-07-31 CN disclosed
US-10030047-B2 Peptide macrocycles against acinetobacter baumannii HOFFMANN-LA ROCHE INC. (US) 2018-07-24 US disclosed
US-20180022716-A1 POLYMERIZABLE COMPOUND AND OPTICAL ISOMER DIC CORPORATION (JP) 2018-01-25 US disclosed
WO-2017147047-A1 FXR MODULATORS AND METHODS OF THEIR USE ALIOS BIOPHARMA, INC. (US) 2017-08-31 WO disclosed
WO-2004087687-A1 CHROMENE DERIVATIVES AS ANTI-INFLAMMATORY AGENTS PHARMACIA CORPORATION (US) 2004-10-14 WO 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 (8 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-20220411468-A1 PEPTIDE MACROCYCLES AGAINST ACINETOBACTER BAUMANNII VIP, ARG1, CX3CR1 ERN1 2560/4885TRIM24 1373/4885TYR 2485/4885
US-12012466-B2 Peptide macrocycles against Acinetobacter baumannii VIP, ARG1, CX3CR1 ERN1 2560/4885TRIM24 1373/4885TYR 2485/4885
US-20040034231-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS ERN1 1281/4885TRIM24 4073/4885TYR 4365/4885
US-20180022716-A1 POLYMERIZABLE COMPOUND AND OPTICAL ISOMER SMC4, MAP1LC3C, ZW10 ERN1 2084/4885TRIM24 1527/4885TYR 55/4885
US-20180362578-A1 PEPTIDE MACROCYCLES AGAINST ACINETOBACTER BAUMANNII VIP, ARG1, CX3CR1 ERN1 2560/4885TRIM24 1373/4885TYR 2485/4885
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS ERN1 1281/4885TRIM24 4073/4885TYR 4365/4885
US-20030083504-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS ERN1 1281/4885TRIM24 4073/4885TYR 4365/4885
US-10030047-B2 Peptide macrocycles against acinetobacter baumannii VIP, ARG1, CX3CR1 ERN1 2560/4885TRIM24 1373/4885TYR 2485/4885

“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.