SCHEMBL9612697

SCHEMBL9612697

CC(C)(C)OC(=O)NCCOc1ccc2ccc(=O)oc2c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.72
HPGD P15428 3/20 0.72
ALDH1A1 P00352 3/20 0.72
GLA P06280 2/20 0.72
GAA P10253 2/20 0.72
MAPT P10636 2/20 0.72
HIF1A Q16665 1/20 0.72
CA12 O43570 10/20 0.59
CA9 Q16790 7/20 0.59
CA4 P22748 7/20 0.59
CA1 P00915 6/20 0.59
CA2 P00918 4/20 0.59
CA6 P23280 3/20 0.59
CA7 P43166 3/20 0.59
CA14 Q9ULX7 3/20 0.59
CA5B Q9Y2D0 3/20 0.59
CA5A P35218 2/20 0.59
CA3 P07451 1/20 0.59
MAOA P21397 2/20 0.57
MAOB P27338 2/20 0.57

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
SCHEMBL30225735 0.93 KDM4E (0.67) KDM4EHPGDALDH1A1GLAGAA
SCHEMBL18551733 0.84 CA12 (0.55) KDM4EHPGDALDH1A1GLAGAA
SCHEMBL15065835 0.83 MAOB (0.57) KDM4EHPGDALDH1A1GLAGAA
SCHEMBL8515779 0.82 CA12 (0.68) KDM4EHPGDALDH1A1CA12CA9
SCHEMBL4446592 0.82 AGER (0.60) KDM4EHPGDALDH1A1MAOBCYP1A1
SCHEMBL23843620 0.81 PDK2 (0.60) KDM4EALDH1A1CA12CA9CA1
SCHEMBL12617766 0.81 CYP1A1 (0.60) KDM4EHPGDALDH1A1GLAGAA
SCHEMBL15065793 0.81 MAOB (0.50) KDM4EHPGDALDH1A1GLAGAA
SCHEMBL18611665 0.80 CA12 (0.51) KDM4EHPGDALDH1A1GLAGAA
SCHEMBL16572283 0.79 CA12 (0.57) KDM4EHPGDALDH1A1GLAGAA

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 disclosed
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 KDM4E 2075/4885HPGD 576/4885ALDH1A1 600/4885

“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.