SCHEMBL2238113

SCHEMBL2238113

C=CCNC(=S)Nc1ccc(OS(N)(=O)=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.58
CA2 P00918 12/20 0.52
CA1 P00915 11/20 0.52
CA9 Q16790 11/20 0.52
GAA P10253 2/20 0.52
MAPT P10636 2/20 0.52
CA12 O43570 10/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPK1 P28482 1/20 0.50
LMNA P02545 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 0.78 CA2 (0.74) KDM4ECA2CA1CA9CA12
SCHEMBL3063622 0.78 ALDH1A1 (0.65) KDM4EGAAMAPTALDH1A1LMNA
SCHEMBL14725328 0.77 KDM4E (0.60) KDM4EGAAMAPTALDH1A1MAPK1
SCHEMBL9779693 0.75 GAA (0.67) KDM4EGAAMAPTALDH1A1LMNA
SCHEMBL2236429 0.74 GAA (0.66) KDM4EGAAMAPTALDH1A1MAPK1
SCHEMBL28761619 0.74 KDM4E (1.00) KDM4ECA1CA9GAAMAPT
SCHEMBL2237481 0.73 CA1 (0.60) CA2CA1CA9CA12ALDH1A1
SCHEMBL2235284 0.73 CA1 (0.72) CA2CA1CA9CA12
SCHEMBL8611437 0.72 GAA (0.64) KDM4EGAAMAPTALDH1A1MAPK1
SCHEMBL5448347 0.72 GAA (0.64) KDM4EGAAMAPTALDH1A1MAPK1

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 KDM4E 822/4885CA2 2/4885CA1 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.