SCHEMBL4397787

SCHEMBL4397787

CC1(C)C[C@@H](C(=O)O)C(C)(C)N1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
APLNR P35414 1/20 0.38
SLC6A4 P31645 1/20 0.34
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 1/20 0.32
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 2/20 0.32
ALOX15 P16050 2/20 0.32
GRM4 Q14833 4/20 0.31
CYP2C19 P33261 3/20 0.31
CYP1A2 P05177 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
GRM8 O00222 1/20 0.31
GRM6 O15303 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
HTT P42858 1/20 0.30

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
SCHEMBL697858 1.00 GAA (0.50) GAAL3MBTL1APLNRSLC6A4SLC1A2
SCHEMBL13225976 1.00 GAA (0.50) GAAL3MBTL1APLNRSLC6A4SLC1A2
SCHEMBL9715915 0.83 GAA (0.50) GAAL3MBTL1ALDH1A1KDM4EALOX15
SCHEMBL23616413 0.83 GAA (0.40) GAAL3MBTL1APLNRSLC6A4SLC1A2
SCHEMBL1933219 0.81 GAA (0.48) GAAL3MBTL1ALDH1A1KDM4EALOX15
SCHEMBL13225973 0.81 GAA (0.48) GAAL3MBTL1ALDH1A1KDM4EALOX15
SCHEMBL13225974 0.81 GAA (0.48) GAAL3MBTL1ALDH1A1KDM4EALOX15
SCHEMBL8599636 0.81 GAA (0.48) GAAL3MBTL1ALDH1A1KDM4EALOX15
SCHEMBL1231230 0.79 GAA (0.47) GAAL3MBTL1ALDH1A1KDM4EALOX15
SCHEMBL438904 0.79 SLC1A2 (0.42) GAAL3MBTL1APLNRSLC1A2SLC1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115710701-A Chemical gold plating solution and application 广东东硕科技有限公司 2023-02-24 CN disclosed
EP-2389373-B1 DERIVATIVES OF N2-(3-PYRIDYL OR PHENYL)-N4-(4-PIPERIDYL)-2,4-PYRIMIDINEDIAMINE USEFUL IN THE TREATMENT OF INFLAMMATORY, AUTOIMMUNE OR PROLIFERATIVE DISEASES RIGEL PHARMACEUTICALS INC (US) 2017-05-17 EP disclosed
US-9453028-B2 Protein kinase C inhibitors and uses thereof RIGEL PHARMACEUTICALS, INC. (US) 2016-09-27 US disclosed
US-20150376203-A1 Protein Kinase C Inhibitors and Uses Thereof MIDCAP FINANCIAL TRUST 2015-12-31 US disclosed
US-9149475-B2 Protein kinase C inhibitors and uses thereof RIGEL PHARMACEUTICALS, INC. (US) 2015-10-06 US disclosed
EP-2387572-B1 PROTEIN KINASE C INHIBITORS AND USES THEREOF RIGEL PHARMACEUTICALS INC (US) 2015-09-16 EP disclosed
US-9095593-B2 Protein kinase C inhibitors and uses thereof RIGEL PHARMACEUTICALS, INC. (US) 2015-08-04 US disclosed
US-9095593-B2 Protein kinase C inhibitors and uses thereof RIGEL PHARMACEUTICALS, INC. (US) 2015-08-04 US disclosed
US-20130210810-A1 Protein Kinase C Inhibitors and Uses Thereof RIGEL PHARMACEUTICALS, INC. (US) 2013-08-15 US disclosed
US-8487079-B2 Use of mitochondria-targeted electron scavengers as anti-inflammatory agents University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2013-07-16 US disclosed
US-20130143875-A1 Protein Kinase C Inhibitors and Uses Thereof RIGEL PHARMACEUTICALS, INC. (US) 2013-06-06 US disclosed
US-20130143875-A1 Protein Kinase C Inhibitors and Uses Thereof RIGEL PHARMACEUTICALS, INC. (US) 2013-06-06 US disclosed
US-20100204208-A1 PROTEIN KINASE C INHIBITORS AND USES THEREOF MIDCAP FINANCIAL TRUST 2010-08-12 US disclosed
US-20090042808-A1 USE OF MITOCHONDRIA-TARGETED ELECTRON SCAVENGERS AS ANTI-INFLAMMATORY AGENTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-02-12 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 (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-20100204208-A1 PROTEIN KINASE C INHIBITORS AND USES THEREOF PRKCH, PRKCA, PRKCB GAA 549/4885L3MBTL1 2767/4885APLNR 3308/4885
US-20150376203-A1 Protein Kinase C Inhibitors and Uses Thereof PRKCH, PRKCA, PRKCB GAA 549/4885L3MBTL1 2767/4885APLNR 3308/4885
US-20090042808-A1 USE OF MITOCHONDRIA-TARGETED ELECTRON SCAVENGERS AS ANTI-INFLAMMATORY AGENTS HAGH, COX5B, HSPE1 GAA 1726/4885L3MBTL1 4323/4885APLNR 2117/4885
US-20130210810-A1 Protein Kinase C Inhibitors and Uses Thereof PRKCH, PRKCA, PRKCB GAA 549/4885L3MBTL1 2767/4885APLNR 3308/4885
US-20130143875-A1 Protein Kinase C Inhibitors and Uses Thereof PRKCH, PRKCA, PRKCB GAA 549/4885L3MBTL1 2767/4885APLNR 3308/4885

“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.