SCHEMBL8512283

SCHEMBL8512283

C=CCOc1cc(=S)oc2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 1.00
CA1 P00915 5/20 1.00
CA9 Q16790 5/20 1.00
CYP3A4 P08684 1/20 0.54
CYP2A6 P11509 1/20 0.54
ALOX15 P16050 2/20 0.41
KCNA3 P22001 1/20 0.40
HPGD P15428 4/20 0.39
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
USP2 O75604 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
HTR2C P28335 2/20 0.36
HTR2B P41595 2/20 0.36
LIG1 P18858 1/20 0.36
MAOB P27338 1/20 0.35

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
SCHEMBL29393962 0.82 CA12 (1.00) CA12CA1CA9CYP3A4CYP2A6
SCHEMBL8515316 0.82 CA12 (1.00) CA12CA1CA9CYP3A4CYP2A6
SCHEMBL6560676 0.75 CA12 (0.60) CA12CA1CA9CYP3A4CYP2A6
SCHEMBL8535505 0.74 CA12 (0.58) CA12CA1CA9CYP3A4CYP2A6
SCHEMBL3820950 0.70 HPGD (0.54) CA12CA1CA9CYP3A4CYP2A6
SCHEMBL16470197 0.70 CA12 (0.54) CA12CA1CA9CYP3A4CYP2A6
1,2-Diallyloxybenzene SCHEMBL366516 0.68 HPGD (0.60) CA12CA1CA9CYP3A4CYP2A6
1,2-Diallyloxybenzene SCHEMBL29768784 0.68 HPGD (0.60) CA12CA1CA9CYP3A4CYP2A6
SCHEMBL3913263 0.68 CA12 (0.74) CA12CA1CA9CYP3A4CYP2A6
SCHEMBL3328856 0.67 MAOA (0.56) CA12CA1CA9CYP3A4CYP2A6

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 9 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
EP-2771488-B1 CARBONIC ANHYDRASE IX-RELATED MARKERS AND USE THEREOF SIGNALCHEM LIFESCIENCES CORP (CA) 2018-03-28 EP 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
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 10/4885CA1 5/4885CA9 4/4885

“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.