SCHEMBL1508734

SCHEMBL1508734

CC(C)NCC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.42
CA2 P00918 2/20 0.39
CA1 P00915 1/20 0.39
CA7 P43166 1/20 0.39
CTSK P43235 1/20 0.38
PTPRC P08575 2/20 0.38
CA12 O43570 1/20 0.37
CA14 Q9ULX7 1/20 0.37
DGAT1 O75907 1/20 0.35
GAA P10253 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
MAPT P10636 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL235261 0.85 CYP2D6 (0.45) CYP2D6CA2CA1CA7CTSK
SCHEMBL12559692 0.83 CTSK (0.30) CYP2D6CA2CA1CA7CTSK
SCHEMBL24269352 0.83 CYP2D6 (0.44) CYP2D6CA2CA1CA7CTSK
SCHEMBL2407746 0.82 CYP2D6 (0.39) CYP2D6CA2CA1CA7CTSK
SCHEMBL2317242 0.82 CYP2D6 (0.39) CYP2D6CA2CA1CA7CTSK
SCHEMBL1339541 0.82 CYP2D6 (0.39) CYP2D6CA2CA1CA7CTSK
SCHEMBL3670762 0.81 CYP2D6 (0.41) CYP2D6CA2CA1CA7CTSK
SCHEMBL4095492 0.80 CA14 (0.46) CYP2D6CA2CA1CA7CTSK
SCHEMBL8644151 0.80 CYP2D6 (0.38) CYP2D6CA2CA1CA7CTSK
SCHEMBL7431200 0.80 CA14 (0.46) CYP2D6CA2CA1CA7CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12485109-B2 Pyrrolo 12.3-dipyrimidine compounds and analogues thereof BIOCRYST PHARMACEUTICALS, INC. (US) 2025-12-02 US disclosed
EP-3925956-B1 1H-INDAZOLE-3-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS FACTOR D INHIBITORS FOR TREATING DISEASES CHARACTERIZED BY ABERRANT COMPLEMENT SYSTEM ACTIVITY, SUCH AS E.G. IMMUNOLOGICAL DISORDERS BIOCRYST PHARM INC (US) 2024-04-10 EP disclosed
US-20230218578-A1 BENZOPYRAZOLE COMPOUNDS AND ANALOGUES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION 2023-07-13 US disclosed
US-20230218578-A1 BENZOPYRAZOLE COMPOUNDS AND ANALOGUES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION 2023-07-13 US disclosed
US-20230218578-A1 BENZOPYRAZOLE COMPOUNDS AND ANALOGUES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION 2023-07-13 US disclosed
US-20230151060-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITORY ACTION CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-05-18 US disclosed
US-20230151060-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITORY ACTION CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-05-18 US disclosed
US-11559515-B2 Indole compounds and analogues thereof BIOCRYST PHARMACEUTICALS, INC. (US) 2023-01-24 US disclosed
US-11559515-B2 Indole compounds and analogues thereof BIOCRYST PHARMACEUTICALS, INC. (US) 2023-01-24 US disclosed
CN-115490751-A Factor D inhibitors 拜奥克里斯特制药公司 2022-12-20 CN disclosed
WO-2017136395-A1 BENZOPYRAZOLE COMPOUNDS AND ANALOGUES THEREOF BIOCRYST PHARMACEUTICALS, INC. (US) 2017-08-10 WO disclosed
WO-2017136395-A1 BENZOPYRAZOLE COMPOUNDS AND ANALOGUES THEREOF BIOCRYST PHARMACEUTICALS, INC. (US) 2017-08-10 WO disclosed
US-9580411-B2 Substituted sulfonamide compounds HOFFMANN-LA ROCHE INC. (US) 2017-02-28 US disclosed
EP-2900642-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS F. Hoffmann-La Roche AG (CH) 2015-08-05 EP disclosed
US-20150197509-A1 SUBSTITUTED SULFONAMIDE SOLUTIONS GENENTECH, INC. (US) 2015-07-16 US disclosed
EP-2298778-A1 IMIDAZOTHIAZOLE DERIVATIVE HAVING 4,7-DIAZASPIROÝ2.5¨OCTANE RING STRUCTURE Daiichi Sankyo Company, Limited (JP) 2011-03-23 EP disclosed
US-20090312310-A1 Imidazothiazole derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-12-17 US disclosed
US-20090312310-A1 Imidazothiazole derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-12-17 US disclosed
US-20090312310-A1 Imidazothiazole derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-12-17 US disclosed
EP-2103619-A1 IMIDAZOTHIAZOLE DERIVATIVES Daiichi Sankyo Company, Limited (JP) 2009-09-23 EP 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-20230151060-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITORY ACTION KRAS, NRAS, HRAS CYP2D6 4576/4885CA2 1953/4885CA1 2707/4885
US-12485109-B2 Pyrrolo 12.3-dipyrimidine compounds and analogues thereof C5, DPYD, C9 CYP2D6 190/4885CA2 4154/4885CA1 4384/4885
US-20090312310-A1 Imidazothiazole derivatives TP53, MDM2, TP53BP1 CYP2D6 2928/4885CA2 2707/4885CA1 3331/4885
US-20150197509-A1 SUBSTITUTED SULFONAMIDE SOLUTIONS TRPA1, TRPV1, TRPV5 CYP2D6 656/4885CA2 306/4885CA1 1627/4885
US-20230218578-A1 BENZOPYRAZOLE COMPOUNDS AND ANALOGUES THEREOF C9, C5, C1QBP CYP2D6 95/4885CA2 3810/4885CA1 4670/4885
US-11559515-B2 Indole compounds and analogues thereof C5, IDO1, IDO2 CYP2D6 186/4885CA2 2861/4885CA1 2970/4885

“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.