SCHEMBL3729908

SCHEMBL3729908

[CH2]c1ccc(OCCF)cc1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
APP P05067 13/20 0.50
ALDH1A1 P00352 1/20 0.47
KCNH2 Q12809 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA9 Q16790 1/20 0.41
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38

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
SCHEMBL4096846 0.88 MAPT (0.42) APPALDH1A1
SCHEMBL10457449 0.87 APP (0.59) APPALDH1A1KCNH2CA12CA1
SCHEMBL14764547 0.81 CA12 (0.50) APPALDH1A1CA12CA1CA9
SCHEMBL4819508 0.81 ALDH1A1 (0.60) APPALDH1A1CA12CA1CA9
SCHEMBL304730 0.81 TAAR1 (0.60) ALDH1A1
SCHEMBL10458215 0.80 APP (0.53) APPALDH1A1
SCHEMBL6420718 0.80 DRD4 (0.50) DRD2DRD4DRD3
SCHEMBL1620167 0.78 APP (0.52) APPALDH1A1DRD2DRD4DRD3
SCHEMBL7362924 0.76 NPC1 (0.40) ALDH1A1
SCHEMBL2628228 0.76 L3MBTL1 (0.59) APPALDH1A1KCNH2DRD2DRD4

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3034074-A1 Compound for treatment of myotonic dystrophy type 1 Universitat De València, Estudi General (ES) 2016-06-22 EP claimed
US-20180263943-A1 COMPOUND FOR TREATMENT OF MYOTONIC DYSTROPHY TYPE 1 UNIVERSITAT DE VALÈNCIA, ESTUDI GENERAL (ES) 2018-09-20 US disclosed
EP-3233073-A1 COMPOUND FOR TREATMENT OF MYOTONIC DYSTROPHY TYPE 1 Universitat De València, Estudi General (ES) 2017-10-25 EP disclosed
WO-2016097299-A1 COMPOUND FOR TREATMENT OF MYOTONIC DYSTROPHY TYPE 1 UNIVERSITAT DE VALÈNCIA, ESTUDI GENERAL (ES) 2016-06-23 WO disclosed
EP-3034074-A1 Compound for treatment of myotonic dystrophy type 1 Universitat De València, Estudi General (ES) 2016-06-22 EP disclosed
US-20130149239-A1 5-PYRROLIDINYLSULFONYL-ISATIN DERIVATIVES UNIVERSITATSKLINIKUM MUNSTER (DE) 2013-06-13 US disclosed
US-8440841-B2 5-pyrrolidinylsulfonyl isatin derivatives Universitätsklinikum Münster (DE) 2013-05-14 US disclosed
US-8354092-B2 Development of molecular imaging probes for carbonic anhydrase-IX using click chemistry SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2013-01-15 US disclosed
EP-2468734-A1 Development of molecular imaging probes for carbonic anhydrase-IX using click chemistry Siemens Medical Solutions USA, Inc. (US) 2012-06-27 EP disclosed
US-20100317842-A1 Development of Molecular Imaging Probes for Carbonic Anhydrase-IX Using Click Chemistry SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2010-12-16 US disclosed
US-7829063-B2 Development of molecular imaging probes for carbonic anhydrase-IX using click chemistry SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2010-11-09 US disclosed
EP-2129666-A2 DEVELOPMENT OF MOLECULAR IMAGING PROBES FOR CARBONIC ANHYDRASE-IX USING CLICK CHEMISTRY Siemens Medical Solutions USA, Inc. (US) 2009-12-09 EP disclosed
US-20090123372-A1 DEVELOPMENT OF MOLECULAR IMAGING PROBES FOR CARBONIC ANHYDRASE-IX USING CLICK CHEMISTRY SIEMENS MEDICAL SOLUTIONS USA, INC. 2009-05-14 US disclosed
US-20090041664-A1 5-Pyrrolidinylsulfonyl Isatin Derivatives UNIVERSITATSKLINIKUM MUNSTER (DE) 2009-02-12 US disclosed
WO-2008124703-A2 DEVELOPMENT OF MOLECULAR IMAGING PROBES FOR CARBONIC ANHYDRASE-IX USING CLICK CHEMISTRY SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2008-10-16 WO disclosed
EP-1841759-A2 5-PYRROLIDINYLSULFONYL ISATIN DERIVATIVES Universitätsklinikum Münster (DE) 2007-10-10 EP disclosed
WO-2006074799-A2 5-PYRROLIDINYLSULFONYL ISATIN DERIVATIVES Universitätsklinikum Münster (DE) 2006-07-20 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 (5 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-20100317842-A1 Development of Molecular Imaging Probes for Carbonic Anhydrase-IX Using Click Chemistry CA9, CA4, CA13 APP 3382/4885ALDH1A1 387/4885KCNH2 2971/4885
US-20130149239-A1 5-PYRROLIDINYLSULFONYL-ISATIN DERIVATIVES CASP5, SLC1A5, CTSZ APP 1338/4885ALDH1A1 3602/4885KCNH2 3093/4885
US-20090123372-A1 DEVELOPMENT OF MOLECULAR IMAGING PROBES FOR CARBONIC ANHYDRASE-IX USING CLICK CHEMISTRY CA9, CA4, CA13 APP 3382/4885ALDH1A1 387/4885KCNH2 2971/4885
US-20090041664-A1 5-Pyrrolidinylsulfonyl Isatin Derivatives CASP5, CTSZ, CTSS APP 1366/4885ALDH1A1 3509/4885KCNH2 3349/4885
US-20180263943-A1 COMPOUND FOR TREATMENT OF MYOTONIC DYSTROPHY TYPE 1 MBNL1, SMN1; SMN2, SQSTM1 APP 1731/4885ALDH1A1 3387/4885KCNH2 3947/4885

“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.