SCHEMBL2237481

SCHEMBL2237481

CSc1ccc(NC(=S)Nc2ccc(OS(N)(=O)=O)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA1 P00915 17/20 0.60
CA2 P00918 17/20 0.60
CA9 Q16790 17/20 0.60
CA12 O43570 16/20 0.60
IDO1 P14902 1/20 0.56
STS P08842 1/20 0.50
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL2237057 0.82 CA2 (0.74) CA1CA2CA9CA12ALDH1A1
SCHEMBL6801657 0.78 STS (0.63) CA1CA2CA9CA12STS
SCHEMBL2235284 0.77 CA1 (0.72) CA1CA2CA9CA12
SCHEMBL14725327 0.76 IDO1 (0.58) CA1CA2CA9CA12IDO1
SCHEMBL9451275 0.73 CA1 (1.00) CA1CA2CA9CA12STS
SCHEMBL2238113 0.73 KDM4E (0.58) CA1CA2CA9CA12ALDH1A1
SCHEMBL2235410 0.73 ALDH1A1 (0.69) CA1CA2CA9CA12IDO1
SCHEMBL17913053 0.73 IDO1 (1.00) IDO1ALDH1A1
SCHEMBL24894101 0.71 IDO1 (0.70) IDO1ALDH1A1
SCHEMBL4665404 0.70 CA1 (0.90) CA1CA2CA9CA12STS

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
US-20130053392-A1 CARBONIC ANHYDRASE INHIBITORS UNIVERSITETET I OSLO (NO) 2013-02-28 US disclosed
US-20130053392-A1 CARBONIC ANHYDRASE INHIBITORS UNIVERSITETET I OSLO (NO) 2013-02-28 US disclosed
EP-2533775-A1 CARBONIC ANHYDRASE INHIBITORS Universita' Degli Studi di Firenze (IT) 2012-12-19 EP disclosed
WO-2011098610-A1 CARBONIC ANHYDRASE INHIBITORS UNIVERSITA DEGLI STUDI DI FIRENZE (IT) 2011-08-18 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-20130053392-A1 CARBONIC ANHYDRASE INHIBITORS CA9, CA2, CA4 CA1 5/4885CA2 2/4885CA9 1/4885

“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.