SCHEMBL8515480

SCHEMBL8515480

C=CCOc1ccc2ccc(=S)oc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 13/20 1.00
▸ CA9 Q16790 13/20 1.00
▸ CA1 P00915 9/20 1.00
▸ CA4 P22748 3/20 0.60
▸ ALDH1A1 P00352 3/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ MTNR1A P48039 1/20 0.46
▸ AGER Q15109 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ MAPT P10636 2/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ CA6 P23280 2/20 0.42
▸ CA7 P43166 2/20 0.42
▸ CA14 Q9ULX7 2/20 0.42
▸ CA5B Q9Y2D0 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CA5A P35218 1/20 0.42
▸ MAOB P27338 1/20 0.41
▸ MEN1 O00255 1/20 0.41

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
SCHEMBL8512294 0.89 CA12 (1.00) CA12CA9CA1CA4ALDH1A1
7-Allyloxycoumarin SCHEMBL4765530 0.81 CA12 (1.00) CA12CA9CA1CA4ALDH1A1
SCHEMBL9612911 0.79 CA12 (0.66) CA12CA9CA1CA4ALDH1A1
SCHEMBL3825460 0.77 CA12 (0.64) CA12CA9CA1ALDH1A1MTNR1A
SCHEMBL8512831 0.75 CA12 (1.00) CA12CA9CA1CA4ALDH1A1
SCHEMBL7315339 0.74 MAOB (0.69) CA12CA9CA1CA4KDM4E
SCHEMBL3823460 0.74 CA12 (0.60) CA12CA9CA1ALDH1A1KDM4E
SCHEMBL31202700 0.74 CA12 (0.66) CA12CA9CA1CA4ALDH1A1
SCHEMBL10509548 0.73 CA2 (0.62) CA12CA9CA1CA4ALDH1A1
SCHEMBL17357518 0.72 CA12 (0.58) CA12CA9CA1ALDH1A1MTNR1A

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 6 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
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.

Send feedback