SCHEMBL1949259

SCHEMBL1949259

COC(=O)c1cc(C(=O)OC)cc(-c2cc(C(=O)OC)cc(C(=O)OC)c2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.62
CA2 P00918 4/20 0.62
CA12 O43570 3/20 0.62
CA7 P43166 3/20 0.62
CA9 Q16790 3/20 0.62
CA14 Q9ULX7 3/20 0.62
KDM4E B2RXH2 5/20 0.60
POLB P06746 3/20 0.60
XDH P47989 2/20 0.60
TDP1 Q9NUW8 2/20 0.60
LMNA P02545 2/20 0.60
GAA P10253 1/20 0.60
NFKB1 P19838 1/20 0.60
GFER P55789 1/20 0.60
NFKB2 Q00653 1/20 0.60
RELA Q04206 1/20 0.60
FUT7 Q11130 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
ALDH1A1 P00352 3/20 0.56
TSHR P16473 1/20 0.52

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
Benzene SCHEMBL18691853 0.95 TSHR (0.60) CA1CA2CA12CA7CA9
SCHEMBL147169 0.92 CA1 (0.71) CA1CA2CA12CA7CA9
SCHEMBL16749655 0.89 CA1 (0.58) CA1CA2CA12CA7CA9
SCHEMBL8440378 0.87 ALDH1A1 (0.60) CA1CA2CA12CA7CA9
SCHEMBL7823750 0.87 TSHR (0.63) CA1CA2CA12CA7CA9
Formic Acid SCHEMBL28005673 0.86 CA1 (0.54) CA1CA2CA12CA7CA9
SCHEMBL8413906 0.86 CA1 (0.79) CA1CA2CA12CA7CA9
SCHEMBL16076889 0.85 CA1 (0.64) CA1CA2CA12CA7CA9
SCHEMBL1495498 0.85 TDP1 (0.64) CA1CA2CA12CA7CA9
SCHEMBL8410461 0.84 ATAD2 (0.60) CA1CA2CA12CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2139463-B1 ANTI-INFECTIVE AGENTS TECH UNIVERSITÄT CAROLO WILHELMINA ZU BRAUNSCHWEIG (DE) 2014-08-20 EP disclosed
US-8450318-B2 Method to treat infections using anti-infective agents K.U. LEUVEN RESEARCH AND DEVELOPMENT (BE) 2013-05-28 US disclosed
US-8450318-B2 Method to treat infections using anti-infective agents K.U. LEUVEN RESEARCH AND DEVELOPMENT (BE) 2013-05-28 US disclosed
US-20110136840-A1 ANTI-INFECTIVE AGENTS MAZIK, MONIKA (DE) 2011-06-09 US disclosed
EP-2139463-A2 ANTI-INFECTIVE AGENTS Technische Universität Carolo-Wilhelmina zu Braunschweig (DE) 2010-01-06 EP disclosed
WO-2008113557-A2 ANTI-INFECTIVE AGENTS Technische Universität Carolo Wilhelmina Zu Braunschweig (DE) 2008-09-25 WO disclosed
EP-1972338-A1 Anti-infective agents Technische Universität Carolo-Wilhelmina zu Braunschweig (DE) 2008-09-24 EP 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-20110136840-A1 ANTI-INFECTIVE AGENTS ICAM1, MANBA, ALG1 CA1 1618/4885CA2 2350/4885CA12 551/4885

“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.