SCHEMBL3059967

SCHEMBL3059967

CS(=O)(=O)OCC1CN(C(=O)O)CCC1c1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.41
RAB9A P51151 3/20 0.37
MAPT P10636 2/20 0.37
HCRTR2 O43614 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SIGMAR1 Q99720 2/20 0.36
NPC1 O15118 2/20 0.36
CCR5 P51681 1/20 0.36
ATM Q13315 1/20 0.36
SCN9A Q15858 1/20 0.36
KDM1A O60341 2/20 0.36
MAOB P27338 2/20 0.36

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
SCHEMBL25217622 1.00 L3MBTL1 (0.41) L3MBTL1RAB9AMAPTHCRTR2ALDH1A1
SCHEMBL29584483 0.88 MEN1 (0.43) RAB9AMAPTHCRTR2ALDH1A1GAA
SCHEMBL18586063 0.88 MEN1 (0.43) RAB9AMAPTHCRTR2ALDH1A1GAA
SCHEMBL18345004 0.86 SCN9A (0.49) SCN9A
SCHEMBL6694621 0.86 SCN9A (0.49) SCN9A
SCHEMBL5459736 0.86 SCN9A (0.49) SCN9A
SCHEMBL4760197 0.86 SCN9A (0.49) SCN9A
SCHEMBL4436548 0.86 SCN9A (0.49) SCN9A
SCHEMBL6690206 0.85 SMN1; SMN2 (0.46) RAB9ASMN1; SMN2NPC1KDM1A
SCHEMBL6690204 0.85 SMN1; SMN2 (0.46) RAB9ASMN1; SMN2NPC1KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3313396-A1 G PROTEIN-COUPLED RECEPTOR KINASE INHIBITORS AND METHODS FOR USE OF THE SAME The Regents of The University of Michigan (US) 2018-05-02 EP disclosed
WO-2016210403-A1 G PROTEIN-COUPLED RECEPTOR KINASE INHIBITORS AND METHODS FOR USE OF THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2016-12-29 WO disclosed
US-20150196544-A1 NOVEL BENZO[d][1,3]-DIOXOL DERIVATIVES CONCERT PHARMACEUTICALS, INC. 2015-07-16 US disclosed
US-20140018390-A1 DEUTERATED BENZO[D][1,3]-DIOXOL DERIVATIVES CONCERT PHARMACEUTICALS, INC. (US) 2014-01-16 US disclosed
US-8450492-B2 Deuterated benzo[D][1,3]-dioxol derivatives CONCERT PHARMACEUTICALS, INC. (US) 2013-05-28 US disclosed
EP-1910322-B1 NOVEL DEUTERATED BENZO [D][1,3]-DIOXOL DERIVATIVES AS SEROTONIN REUPTAKE INHIBITORS CONCERT PHARMACEUTICALS INC (US) 2012-09-05 EP disclosed
US-20100222589-A1 DEUTERATED BENZO[D][1,3]-DIOXOL DERIVATIVES CONCERT PHARMACEUTICALS INC. 2010-09-02 US disclosed
US-7678914-B2 Deuterated benzo[D][1,3]-dioxol derivatives CONCERT PHARMACEUTICALS INC. (US) 2010-03-16 US disclosed
US-20080287495-A1 Novel benzo[d][1,3]-dioxol derivatives CONCERT PHARMACEUTICALS INC. 2008-11-20 US disclosed
EP-1910322-A2 NOVEL BENZO [D][1,3]-DIOXOL DERIVATIVES Concert Pharmaceuticals Inc. (US) 2008-04-16 EP disclosed
US-20080033011-A1 NOVEL BENZO[D][1,3]-DIOXOL DERIVATIVES CONCERT PHARMACEUTICALS INC. (US) 2008-02-07 US disclosed
US-20070191432-A1 Novel benzo[D][1,3]-dioxol derivatives CONCERT PHARMACEUTICALS INC. (US) 2007-08-16 US disclosed
WO-2007016431-A2 NOVEL BENZO [D] [1,3]-DIOXOL DERIVATIVES CONCERT PHARMACEUTICALS INC. (US) 2007-02-08 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 (6 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-20080033011-A1 NOVEL BENZO[D][1,3]-DIOXOL DERIVATIVES TPH1, TPH2, HTR5A L3MBTL1 4074/4885RAB9A 3323/4885MAPT 1222/4885
US-20140018390-A1 DEUTERATED BENZO[D][1,3]-DIOXOL DERIVATIVES TPH1, HTR1D, DRD1 L3MBTL1 3835/4885RAB9A 3001/4885MAPT 906/4885
US-20100222589-A1 DEUTERATED BENZO[D][1,3]-DIOXOL DERIVATIVES TPH1, HTR1D, DRD1 L3MBTL1 3835/4885RAB9A 3001/4885MAPT 906/4885
US-20080287495-A1 Novel benzo[d][1,3]-dioxol derivatives TPH1, HTR1D, HTR1A L3MBTL1 4082/4885RAB9A 2699/4885MAPT 1006/4885
US-20070191432-A1 Novel benzo[D][1,3]-dioxol derivatives TPH1, HTR1D, HTR1A L3MBTL1 4082/4885RAB9A 2699/4885MAPT 1006/4885
US-20150196544-A1 NOVEL BENZO[d][1,3]-DIOXOL DERIVATIVES TPH1, HTR1D, HTR1A L3MBTL1 4082/4885RAB9A 2699/4885MAPT 1006/4885

“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.