SCHEMBL395639

SCHEMBL395639

COC(=O)c1cc(N)ccc1C(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.57
ALDH1A1 P00352 5/20 0.45
KDM4E B2RXH2 5/20 0.45
HSD17B10 Q99714 3/20 0.45
MAPT P10636 3/20 0.45
HPGD P15428 2/20 0.45
GLA P06280 2/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
ATM Q13315 1/20 0.45
CFTR P13569 3/20 0.44
NR1H4 Q96RI1 2/20 0.44
ABL1 P00519 1/20 0.44
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
ALOX5 P09917 1/20 0.41
MAPK1 P28482 1/20 0.41
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA9 Q16790 3/20 0.40

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
SCHEMBL653785 0.85 GAA (0.56) GAAALDH1A1KDM4EHSD17B10MAPT
SCHEMBL9705197 0.82 GAA (0.65) GAAALDH1A1KDM4EHSD17B10MAPT
SCHEMBL12251391 0.81 CYP46A1 (0.54) GAAALDH1A1KDM4EMAPTHPGD
SCHEMBL17935123 0.81 CA12 (0.62) GAAALDH1A1KDM4EHSD17B10ALOX15
SCHEMBL8658786 0.81 KDM4E (0.54) GAAALDH1A1KDM4EHSD17B10MAPT
SCHEMBL13945799 0.81 ALDH1A1 (0.47) GAAALDH1A1KDM4EMAPTHPGD
SCHEMBL25584212 0.80 KDM4E (0.55) GAAALDH1A1KDM4EHSD17B10MAPT
SCHEMBL25584049 0.80 MAPT (0.41) GAAALDH1A1KDM4EHSD17B10MAPT
SCHEMBL1403643 0.80 GAA (0.72) GAAALDH1A1KDM4EHSD17B10MAPT
SCHEMBL11437964 0.79 ABL1 (0.56) ALDH1A1KDM4EMAPTHPGDNR1H4

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 145 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230183282-A1 REMDESIVIR AND REMDESIVIR ANALOGS, SOLUTIONS, AND NANOPARTICLE, LIPOSOMAL, AND MICROPARTICLE COMPOSITIONS FOR TREATING VIRAL INFECTIONS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2023-06-15 US disclosed
US-20230183282-A1 REMDESIVIR AND REMDESIVIR ANALOGS, SOLUTIONS, AND NANOPARTICLE, LIPOSOMAL, AND MICROPARTICLE COMPOSITIONS FOR TREATING VIRAL INFECTIONS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2023-06-15 US disclosed
CN-107501099-B Modulators of ATP-binding cassette transporters 沃泰克斯药物股份有限公司 2021-03-19 CN disclosed
EP-3705477-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2020-09-09 EP disclosed
EP-3705477-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2020-09-09 EP disclosed
US-10662192-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-05-26 US disclosed
US-10662192-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-05-26 US disclosed
EP-3216787-B1 INTERMEDIATES FOR THE PREPARATION OF MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2020-02-19 EP disclosed
EP-3216787-B1 INTERMEDIATES FOR THE PREPARATION OF MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2020-02-19 EP disclosed
US-20190144450-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-05-16 US disclosed
EP-1974212-A1 COMPOUNDS USEFUL IN CFTR ASSAYS AND METHODS THEREWITH Vertex Pharmaceuticals Incorporated (US) 2008-10-01 EP disclosed
US-20080071095-A1 Cystic fibrosis transmembrane conductance VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-03-20 US disclosed
US-20080071095-A1 Cystic fibrosis transmembrane conductance VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-03-20 US disclosed
US-20080071095-A1 Cystic fibrosis transmembrane conductance VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-03-20 US disclosed
CN-101006076-A Modulators of ATP-binding cassette transporters VERTEX PHARMA (US) 2007-07-25 CN disclosed
WO-2007075946-A1 COMPOUNDS USEFUL IN CFTR ASSAYS AND METHODS THEREWITH VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-07-05 WO disclosed
WO-2007075946-A1 COMPOUNDS USEFUL IN CFTR ASSAYS AND METHODS THEREWITH VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-07-05 WO disclosed
EP-1773816-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2007-04-18 EP disclosed
US-20060074075-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"), used for treating genetic disorders; respiratory system disorders VERTEX PHARMACEUTICALS INCORPORATED 2006-04-06 US disclosed
WO-2006002421-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-01-05 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-20190144450-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 GAA 454/4885ALDH1A1 2165/4885KDM4E 4262/4885
US-10662192-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 GAA 454/4885ALDH1A1 2165/4885KDM4E 4262/4885
US-20080071095-A1 Cystic fibrosis transmembrane conductance CFTR, ABCB1, ABCC1 GAA 733/4885ALDH1A1 2651/4885KDM4E 4552/4885
US-20060074075-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"), used for treating genetic disorders; respiratory system disorders CFTR, ABCC4, ABCC2 GAA 650/4885ALDH1A1 2221/4885KDM4E 4649/4885
US-20230183282-A1 REMDESIVIR AND REMDESIVIR ANALOGS, SOLUTIONS, AND NANOPARTICLE, LIPOSOMAL, AND MICROPARTICLE COMPOSITIONS FOR TREATING VIRAL INFECTIONS ALB, ACE, ACE2 GAA 37/4885ALDH1A1 3327/4885KDM4E 2633/4885

“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.