SCHEMBL1934603

SCHEMBL1934603

O=[C]C(=O)OCC1c2ccccc2-c2ccc(S(=O)(=O)O)cc21

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
EPHX2 P34913 1/20 0.41
FABP5 Q01469 3/20 0.40
FABP7 O15540 2/20 0.40
CASP3 P42574 2/20 0.39
ALB P02768 3/20 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
SCHEMBL1539602 0.85 CA1 (0.47) KMT2ACA1CA2EPHX2FABP5
SCHEMBL1934604 0.85 CA1 (0.43) KMT2ACA1CA2EPHX2FABP5
SCHEMBL6706765 0.84 KMT2A (0.52) KMT2ACA1CA2EPHX2FABP5
SCHEMBL135438 0.84 CA1 (0.44) KMT2ACA1CA2EPHX2FABP5
SCHEMBL16253852 0.82 KMT2A (0.48) KMT2ACA1CA2EPHX2FABP5
SCHEMBL29178041 0.79 CA1 (0.39) KMT2ACA1CA2EPHX2FABP5
SCHEMBL5634656 0.79 CA1 (0.44) KMT2ACA1CA2EPHX2FABP5
SCHEMBL19198322 0.78 ALB (0.34) KMT2ACA1CA2EPHX2FABP5
SCHEMBL3490351 0.77 EPHX2 (0.36) KMT2ACA1CA2EPHX2FABP5
SCHEMBL26964307 0.76 ALDH1A1 (0.33) KMT2ACA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8889826-B2 Peptide antibiotics and methods for making same BIOSOURCE PHARM, INC. (US) 2014-11-18 US disclosed
EP-2332965-A1 Peptide antibiotics and methods for making same BioSource Pharm, Inc. (US) 2011-06-15 EP disclosed
US-20080207874-A1 cyclopeptide intermediates are prepared from polymyxin B are used to synthesize new peptide antibiotics; readily derivatized and deprotected to provide new families of antibiotics, which have potent anti-bacterial activity against gram-negative bacteria; also are useful and potent against gram-positive BIOSOURCE PHARM, INC. (US) 2008-08-28 US disclosed
EP-1761554-A2 PEPTIDE ANTIBIOTICS AND METHODS FOR MAKING SAME Biosource Pharm, Inc. (US) 2007-03-14 EP disclosed
WO-2006083317-A9 PEPTIDE ANTIBIOTICS AND METHODS FOR MAKING SAME BIOSOURCE PHARM INC (US) 2007-03-01 WO disclosed
WO-2006083317-A2 PEPTIDE ANTIBIOTICS AND METHODS FOR MAKING SAME BIOSOURCE PHARM, INC. (US) 2006-08-10 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 (1 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-20080207874-A1 cyclopeptide intermediates are prepared from polymyxin B are used to synthesize new peptide antibiotics; readily derivatized and deprotected to provide new families of antibiotics, which have potent anti-bacterial activity against gram-negative bacteria; also are useful and potent against gram-positive VIP, PREP, PEPD KMT2A 4147/4885CA1 4586/4885CA2 4226/4885

“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.