SCHEMBL2236429

SCHEMBL2236429

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

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.66
KDM4E B2RXH2 6/20 0.64
ALDH1A1 P00352 3/20 0.61
MAPT P10636 3/20 0.61
THRB P10828 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
MAPK1 P28482 2/20 0.58
LMNA P02545 5/20 0.57
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56
KMT2A Q03164 2/20 0.53
MAOA P21397 1/20 0.53
MAOB P27338 1/20 0.53
HTT P42858 1/20 0.51
MEN1 O00255 1/20 0.50
PIK3CA P42336 1/20 0.49
MAPK8 P45983 1/20 0.49
MAPK9 P45984 1/20 0.49
MAPK10 P53779 1/20 0.49

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
SCHEMBL5448347 0.84 GAA (0.64) GAAKDM4EALDH1A1MAPTMAPK1
SCHEMBL8611437 0.84 GAA (0.64) GAAKDM4EALDH1A1MAPTMAPK1
SCHEMBL1647857 0.83 ALDH1A1 (0.69) GAAKDM4EALDH1A1MAPTMAPK1
SCHEMBL5450539 0.82 MAPT (0.71) GAAKDM4EALDH1A1MAPTMAPK1
SCHEMBL2856729 0.80 GAA (0.59) GAAKDM4EALDH1A1MAPTMAPK1
SCHEMBL3063622 0.80 ALDH1A1 (0.65) GAAKDM4EALDH1A1MAPTLMNA
SCHEMBL29000359 0.80 GAA (1.00) GAAKDM4EALDH1A1MAPTMAPK1
SCHEMBL28567853 0.80 KDM4E (0.75) GAAKDM4EALDH1A1MAPTMAPK1
SCHEMBL11344785 0.78 KDM4E (0.60) GAAKDM4EALDH1A1MAPTMAPK1
SCHEMBL31459385 0.78 LSS (0.59) GAAKDM4EALDH1A1MAPTMAPK1

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
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
US-20070040151-A1 Two-component initiator system (amine-free) with very good storage stability and particular suitability for acid systems HERAEUS KULZER GMBH (DE) 2007-02-22 US 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 138/4885KDM4E 822/4885ALDH1A1 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.