SCHEMBL3051880

SCHEMBL3051880

O=C1CC(OCC2c3ccccc3-c3cccc(S(=O)(=O)O)c32)C(=O)N1O

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
MMP12 P39900 1/20 0.32
MMP14 P50281 1/20 0.32
TSHR P16473 1/20 0.30

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
SCHEMBL4478311 0.84 FABP5 (0.36) CA1CA2MMP2MMP9MMP12
SCHEMBL4606085 0.82 TSHR (0.32) CA1CA2MMP2MMP9MMP12
SCHEMBL1935691 0.81 CA1 (0.36) CA1CA2MMP2MMP9MMP12
SCHEMBL7714728 0.68 TSHR (0.39) CA1CA2TSHR
SCHEMBL5140755 0.67 CA1 (0.37) CA1CA2
SCHEMBL29430507 0.66 FABP5 (0.48) CA1CA2TSHR
SCHEMBL789074 0.66 FABP5 (0.48) CA1CA2TSHR
SCHEMBL4605373 0.65 TSHR (0.40) CA1CA2TSHR
SCHEMBL3491073 0.65 FABP5 (0.39) CA1CA2TSHR
SCHEMBL4606087 0.65 HRH3 (0.32) CA1CA2MMP2MMP9MMP12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
WO-2010075416-A1 ANTIBIOTIC COMPOSITIONS FOR THE TREATMENT OF GRAM NEGATIVE INFECTIONS BIOSOURCE PHARM, INC. (US) 2010-07-01 WO disclosed
US-20100160215-A1 ANTIBIOTIC COMPOSITIONS FOR THE TREATMENT OF GRAM NEGATIVE INFECTIONS BIOSOURCE PHARM, INC. 2010-06-24 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 (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-20130345121-A1 Antibiotic Compositions For The Treatment of Gram Negative Infections PSMB7, MDN1, PSMB6 CA1 4874/4885CA2 4850/4885MMP2 2365/4885
US-20140073559-A1 Antibiotic Compositions for the Treatment of Gram Negative Infections RPN2, NRDC, RPN1 CA1 4871/4885CA2 4776/4885MMP2 1665/4885
US-20100160215-A1 ANTIBIOTIC COMPOSITIONS FOR THE TREATMENT OF GRAM NEGATIVE INFECTIONS PSMB7, IL17A, IL1B CA1 4878/4885CA2 4856/4885MMP2 1112/4885

“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.