SCHEMBL2237865

SCHEMBL2237865

Oc1ccc(NC(=S)Nc2c(F)c(F)c(F)c(F)c2F)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.69
MAPT P10636 4/20 0.69
ALDH1A1 P00352 4/20 0.69
KDM4E B2RXH2 1/20 0.69
THRB P10828 1/20 0.69
L3MBTL1 Q9Y468 1/20 0.69
KMT2A Q03164 6/20 0.60
LMNA P02545 4/20 0.60
MAOB P27338 4/20 0.60
MAOA P21397 2/20 0.60
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
MEN1 O00255 4/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NOX1 Q9Y5S8 1/20 0.46
IDO1 P14902 2/20 0.45
RRM1 P23921 1/20 0.45

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
SCHEMBL16786363 0.83 KMT2A (0.59) GAAMAPTALDH1A1L3MBTL1KMT2A
SCHEMBL18031169 0.82 GAA (1.00) GAAMAPTALDH1A1KDM4ETHRB
SCHEMBL15392059 0.79 LMNA (0.44) GAAMAPTALDH1A1KDM4ETHRB
SCHEMBL14725325 0.78 CA1 (0.50) GAAMAPTALDH1A1KDM4ETHRB
SCHEMBL2235398 0.75 GAA (1.00) GAAMAPTALDH1A1KDM4ETHRB
SCHEMBL1310574 0.74 GAA (0.78) GAAMAPTALDH1A1KDM4ETHRB
SCHEMBL18031170 0.73 GAA (0.69) GAAMAPTALDH1A1KDM4ETHRB
SCHEMBL2235284 0.73 CA1 (0.72) CA12CA1CA2CA9
SCHEMBL10099725 0.72 GAA (0.83) GAAMAPTALDH1A1KDM4ETHRB
SCHEMBL5078028 0.71 ALDH1A1 (0.74) GAAMAPTALDH1A1KDM4ETHRB

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
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
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
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 GAA 138/4885MAPT 4153/4885ALDH1A1 682/4885

“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.