SCHEMBL2944972

SCHEMBL2944972

COC(=O)c1ccc(O)c[n+]1[O-]

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 9/20 0.47
CA2 P00918 9/20 0.47
CA12 O43570 7/20 0.47
CA9 Q16790 7/20 0.47
CA14 Q9ULX7 7/20 0.47
CA7 P43166 6/20 0.47
PDK2 Q15119 1/20 0.42
PDK4 Q16654 1/20 0.42
LMNA P02545 3/20 0.37
GAA P10253 3/20 0.37
ALDH1A1 P00352 1/20 0.37
TSHR P16473 2/20 0.36
XDH P47989 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PKM P14618 1/20 0.34
POLB P06746 1/20 0.34
GFER P55789 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL29550577 0.81 CA1 (0.47) CA1CA2CA12CA9CA14
SCHEMBL1615851 0.81 CA1 (0.47) CA1CA2CA12CA9CA14
SCHEMBL29877642 0.81 TDP1 (0.47) ALDH1A1TSHRNPSR1TDP1POLB
SCHEMBL2255243 0.81 TDP1 (0.47) ALDH1A1TSHRNPSR1TDP1POLB
SCHEMBL2593656 0.80 NPC1 (0.40) LMNATSHRPKMPOLBSMN1; SMN2
SCHEMBL2961818 0.80 SLC6A3 (0.38) LMNAGAAALDH1A1TSHRNPSR1
SCHEMBL14152742 0.76 CFTR (0.45) LMNAGAAALDH1A1TDP1POLB
SCHEMBL29662636 0.76 CFTR (0.45) LMNAGAAALDH1A1TDP1POLB
SCHEMBL29381019 0.76 CA1 (0.35) CA1CA2CA12CA9CA14
SCHEMBL14152517 0.75 SLC6A3 (0.35) GAAALDH1A1TSHRNPSR1POLB

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-7737161-B2 Condensed furan compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-06-15 US disclosed
US-7737161-B2 Condensed furan compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-06-15 US disclosed
US-20090156803-A1 Condensed furan compounds KAWAGUCHI TAKAYUKI 2009-06-18 US disclosed
US-20090156803-A1 Condensed furan compounds KAWAGUCHI TAKAYUKI 2009-06-18 US disclosed
US-7514449-B2 Fused furan compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-04-07 US disclosed
US-7514449-B2 Fused furan compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-04-07 US disclosed
US-20060094724-A1 Fused furan compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2006-05-04 US disclosed
EP-1582521-A1 FUSED FURAN COMPOUND TANABE SEIYAKU CO., LTD. (JP) 2005-10-05 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 (2 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-20090156803-A1 Condensed furan compounds F2, F12, F11 CA1 3011/4885CA2 1610/4885CA12 3253/4885
US-20060094724-A1 Fused furan compound F2, F12, F11 CA1 3391/4885CA2 1966/4885CA12 3589/4885

“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.