SCHEMBL8515779

SCHEMBL8515779

O=C(O)NCCOc1ccc2ccc(=O)oc2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 14/20 0.68
CA9 Q16790 11/20 0.68
CA1 P00915 8/20 0.68
CA4 P22748 9/20 0.63
CA6 P23280 4/20 0.63
CA7 P43166 4/20 0.63
CA14 Q9ULX7 4/20 0.63
CA2 P00918 4/20 0.63
CA5B Q9Y2D0 3/20 0.63
CA5A P35218 2/20 0.63
CA3 P07451 2/20 0.63
MAOA P21397 4/20 0.61
MAOB P27338 4/20 0.61
KDM4E B2RXH2 3/20 0.59
CYP1A2 P05177 1/20 0.58
MTNR1A P48039 2/20 0.57
MEN1 O00255 1/20 0.57
NPC1 O15118 1/20 0.57
KMT2A Q03164 1/20 0.57
ALDH1A1 P00352 2/20 0.56

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
SCHEMBL23835508 0.92 CA12 (0.61) CA12CA9CA1CA4CA6
SCHEMBL12304245 0.83 CA12 (0.81) CA12CA9CA1CA4CA6
SCHEMBL9612697 0.82 KDM4E (0.72) CA12CA9CA1CA4CA6
SCHEMBL7952557 0.82 CA12 (0.69) CA12CA9CA1CA4CA6
SCHEMBL6834561 0.81 CA12 (1.00) CA12CA9CA1CA4CA6
SCHEMBL24045405 0.81 CA12 (0.82) CA12CA9CA1CA4CA6
SCHEMBL7915726 0.80 CA12 (0.62) CA12CA9CA1CA4CA6
Fumaric Acid SCHEMBL9209725 0.80 CA12 (0.62) CA12CA9CA1CA4CA6
SCHEMBL14329540 0.80 KDM4E (0.72) CA12CA9CA1CA4CA6
SCHEMBL29862974 0.80 KDM4E (0.72) CA12CA9CA1CA4CA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2771488-B1 CARBONIC ANHYDRASE IX-RELATED MARKERS AND USE THEREOF SIGNALCHEM LIFESCIENCES CORP (CA) 2018-03-28 EP claimed
US-20140148400-A1 CARBONIC ANHYDRASE INHIBITORS WITH ANTIMETASTATIC ACTIVITY METASIGNAL THERAPEUTICS INC. (CA) 2014-05-29 US claimed
US-20140148400-A1 CARBONIC ANHYDRASE INHIBITORS WITH ANTIMETASTATIC ACTIVITY METASIGNAL THERAPEUTICS INC. (CA) 2014-05-29 US disclosed
WO-2012070024-A1 CARBONIC ANHYDRASE INHIBITORS WITH ANTIMETASTATIC ACTIVITY METASIGNAL THERAPEUTICS INC. (CA) 2012-05-31 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-20140148400-A1 CARBONIC ANHYDRASE INHIBITORS WITH ANTIMETASTATIC ACTIVITY CA7, CA4, CA2 CA12 10/4885CA9 4/4885CA1 5/4885

“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.