SCHEMBL8515810

SCHEMBL8515810

O=c1ccc2ccc(OCCF)cc2o1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 10/20 1.00
CA9 Q16790 10/20 1.00
CA1 P00915 9/20 1.00
CA6 P23280 5/20 0.72
CA7 P43166 5/20 0.72
CA14 Q9ULX7 5/20 0.72
CA4 P22748 5/20 0.72
CA5B Q9Y2D0 3/20 0.72
CA2 P00918 3/20 0.72
CA5A P35218 3/20 0.72
CA3 P07451 3/20 0.72
CYP1A2 P05177 1/20 0.67
MAOB P27338 7/20 0.65
MAOA P21397 6/20 0.65
MTNR1A P48039 3/20 0.60
NPC1 O15118 2/20 0.60
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
KDM4E B2RXH2 3/20 0.58
ALDH1A1 P00352 3/20 0.58

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
SCHEMBL12304245 0.90 CA12 (0.81) CA12CA9CA1CA6CA7
SCHEMBL6834561 0.87 CA12 (1.00) CA12CA9CA1CA6CA7
SCHEMBL24045405 0.87 CA12 (0.82) CA12CA9CA1CA6CA7
SCHEMBL11946742 0.86 CA12 (0.85) CA12CA9CA1CA6CA7
Hydrochloric Acid SCHEMBL31460532 0.86 CA12 (0.75) CA12CA9CA1CA6CA7
SCHEMBL14634452 0.84 CA12 (0.83) CA12CA9CA1CA6CA7
SCHEMBL28590898 0.84 CA12 (0.73) CA12CA9CA1CA6CA7
SCHEMBL9214643 0.84 CA12 (0.77) CA12CA9CA1CA6CA7
SCHEMBL6590585 0.84 CA12 (0.72) CA12CA9CA1CA6CA7
SCHEMBL31086804 0.84 CA12 (0.77) CA12CA9CA1CA6CA7

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
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
WO-2012070024-A1 CARBONIC ANHYDRASE INHIBITORS WITH ANTIMETASTATIC ACTIVITY METASIGNAL THERAPEUTICS INC. (CA) 2012-05-31 WO 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
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
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.