SCHEMBL8516046

SCHEMBL8516046

Oc1ccc2ccc(=S)oc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 8/20 1.00
▸ CA12 O43570 7/20 1.00
▸ CA1 P00915 5/20 1.00
▸ KDM4E B2RXH2 3/20 0.59
▸ ALDH1A1 P00352 3/20 0.59
▸ HSD17B10 Q99714 2/20 0.59
▸ MEN1 O00255 2/20 0.59
▸ GLA P06280 2/20 0.59
▸ GAA P10253 2/20 0.59
▸ HPGD P15428 2/20 0.59
▸ KMT2A Q03164 2/20 0.59
▸ AKR1B1 P15121 1/20 0.59
▸ CASP1 P29466 1/20 0.59
▸ CASP7 P55210 1/20 0.59
▸ MCL1 Q07820 1/20 0.59
▸ TDP1 Q9NUW8 1/20 0.59
▸ ERAP1 Q9NZ08 1/20 0.59
▸ FLT3 P36888 1/20 0.50
▸ SHBG P04278 1/20 0.50
▸ PTGS1 P23219 2/20 0.48

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
SCHEMBL8513216 0.85 CA12 (1.00) CA9CA12CA1KDM4EALDH1A1
Umbelliferone SCHEMBL11137587 0.74 CA9 (1.00) CA9CA12CA1KDM4EALDH1A1
SCHEMBL5158582 0.74 CA9 (0.59) CA9CA12CA1KDM4EALDH1A1
Umbelliferone SCHEMBL22018 0.74 CA9 (1.00) CA9CA12CA1KDM4EALDH1A1
SCHEMBL2269879 0.74 HSD17B3 (0.61) CA9CA12CA1KDM4EALDH1A1
Umbelliferone SCHEMBL29624448 0.74 CA9 (1.00) CA9CA12CA1KDM4EALDH1A1
Umbelliferone SCHEMBL29396070 0.74 CA9 (1.00) CA9CA12CA1KDM4EALDH1A1
Umbelliferone SCHEMBL27915972 0.72 CA9 (0.96) CA9CA12CA1KDM4EALDH1A1
Umbelliferone SCHEMBL2767044 0.72 CA9 (0.96) CA9CA12CA1KDM4EALDH1A1
Umbelliferone SCHEMBL307982 0.72 CA9 (0.96) CA9CA12CA1KDM4EALDH1A1

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 7 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
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 CA9 4/4885CA12 10/4885CA1 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.

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