SCHEMBL1934604

SCHEMBL1934604

O=C(Cl)OCC1c2ccccc2-c2ccc(S(=O)(=O)O)cc21

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
EPHX2 P34913 1/20 0.43
KMT2A Q03164 2/20 0.42
FABP5 Q01469 3/20 0.42
FABP7 O15540 2/20 0.42
CASP3 P42574 2/20 0.40
ALB P02768 3/20 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
SCHEMBL19198322 0.93 ALB (0.34) CA1CA2EPHX2KMT2AFABP5
SCHEMBL1539602 0.87 CA1 (0.47) CA1CA2EPHX2KMT2AFABP5
SCHEMBL17664205 0.85 EPHX2 (0.36) CA1CA2EPHX2KMT2AFABP5
SCHEMBL1934603 0.85 KMT2A (0.43) CA1CA2EPHX2KMT2AFABP5
SCHEMBL16253852 0.84 KMT2A (0.48) CA1CA2EPHX2KMT2AFABP5
SCHEMBL29349891 0.83 KMT2A (0.55) CA1CA2EPHX2KMT2AFABP5
SCHEMBL27547 0.83 KMT2A (0.55) CA1CA2EPHX2KMT2AFABP5
Hydrochloric Acid SCHEMBL810434 0.82 KMT2A (0.54) CA1CA2EPHX2KMT2AFABP5
Ammonia Solution, Strong SCHEMBL27794450 0.82 KMT2A (0.54) CA1CA2EPHX2KMT2AFABP5
SCHEMBL29178041 0.81 CA1 (0.39) CA1CA2EPHX2KMT2AFABP5

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070099917-A1 Novel inhibitors and methods for their preparation THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2007-05-03 US claimed
EP-1761554-A2 PEPTIDE ANTIBIOTICS AND METHODS FOR MAKING SAME Biosource Pharm, Inc. (US) 2007-03-14 EP claimed
WO-2006083317-A2 PEPTIDE ANTIBIOTICS AND METHODS FOR MAKING SAME BIOSOURCE PHARM, INC. (US) 2006-08-10 WO claimed
WO-2016050764-A1 METHOD FOR PEPTIDE SYNTHESIS AND APPARATUS FOR CARRYING OUT A METHOD FOR SOLID PHASE SYNTHESIS OF PEPTIDES Technische Universität Darmstadt (DE) 2016-04-07 WO disclosed
US-8937040-B2 Antibiotic compositions for the treatment of gram negative infections BIOSOURCE PHARM, INC. (US) 2015-01-20 US disclosed
US-8906866-B2 Antibiotic compositions for the treatment of gram negative infections BIOSOURCE PHARM, INC. (US) 2014-12-09 US disclosed
US-8889826-B2 Peptide antibiotics and methods for making same BIOSOURCE PHARM, INC. (US) 2014-11-18 US disclosed
US-20140073559-A1 Antibiotic Compositions for the Treatment of Gram Negative Infections CUBIST PHARMACEUTICALS, INC. (US) 2014-03-13 US disclosed
US-20130345121-A1 Antibiotic Compositions For The Treatment of Gram Negative Infections BIOSOURCE PHARM, INC. (US) 2013-12-26 US disclosed
US-8415307-B1 Antibiotic compositions for the treatment of gram negative infections BIOSOURCE PHARM, INC. (US) 2013-04-09 US disclosed
US-8343912-B2 Antibiotic compositions for the treatment of gram negative infections BIOSOURCE PHARM, INC. (US) 2013-01-01 US disclosed
EP-2332965-A1 Peptide antibiotics and methods for making same BioSource Pharm, Inc. (US) 2011-06-15 EP disclosed
US-20100160215-A1 ANTIBIOTIC COMPOSITIONS FOR THE TREATMENT OF GRAM NEGATIVE INFECTIONS BIOSOURCE PHARM, INC. 2010-06-24 US disclosed
US-20070099917-A1 Novel inhibitors and methods for their preparation THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2007-05-03 US disclosed
WO-2006083317-A9 PEPTIDE ANTIBIOTICS AND METHODS FOR MAKING SAME BIOSOURCE PHARM INC (US) 2007-03-01 WO disclosed
US-20060004185-A1 Peptide antibiotics and peptide intermediates for their prepartion BIOSOURCE PHARM, INC. 2006-01-05 US 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 (5 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-20070099917-A1 Novel inhibitors and methods for their preparation TK1, ABL1, FLT3 CA1 2277/4885CA2 2445/4885EPHX2 854/4885
US-20130345121-A1 Antibiotic Compositions For The Treatment of Gram Negative Infections PSMB7, MDN1, PSMB6 CA1 4874/4885CA2 4850/4885EPHX2 4619/4885
US-20060004185-A1 Peptide antibiotics and peptide intermediates for their prepartion PREP, VIP, PEPD CA1 4436/4885CA2 4539/4885EPHX2 4780/4885
US-20140073559-A1 Antibiotic Compositions for the Treatment of Gram Negative Infections RPN2, NRDC, RPN1 CA1 4871/4885CA2 4776/4885EPHX2 4681/4885
US-20100160215-A1 ANTIBIOTIC COMPOSITIONS FOR THE TREATMENT OF GRAM NEGATIVE INFECTIONS PSMB7, IL17A, IL1B CA1 4878/4885CA2 4856/4885EPHX2 4260/4885

“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.