SCHEMBL6068166

SCHEMBL6068166

CC(CCN)C(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 2/20 0.50
NOS1 P29475 2/20 0.40
NOS3 P29474 1/20 0.40
NOS2 P35228 1/20 0.40
GABBR2 O75899 2/20 0.34
GABBR1 Q9UBS5 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA7 P43166 1/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
CPB2 Q96IY4 1/20 0.33
AAK1 Q2M2I8 1/20 0.32
CA12 O43570 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CTSK P43235 1/20 0.31
LMNA P02545 1/20 0.31
CYP2D6 P10635 1/20 0.31
APP P05067 1/20 0.31

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
SCHEMBL17854837 0.86 CPB2 (0.44) GABRR1NOS1NOS3NOS2KMT2A
SCHEMBL19008049 0.83 NOS1 (0.38) GABRR1NOS1NOS3NOS2CA1
SCHEMBL2687921 0.83 NOS1 (0.38) GABRR1NOS1NOS3NOS2CA1
SCHEMBL28718237 0.83 KMT2A (0.39) NOS1NOS3NOS2CA1CA2
SCHEMBL14593930 0.83 KMT2A (0.39) NOS1NOS3NOS2CA1CA2
SCHEMBL28058277 0.82 MEN1 (0.38) GABRR1NOS1NOS3NOS2CA1
SCHEMBL24719148 0.81 NOS1 (0.37) NOS1NOS3NOS2CA1CA2
SCHEMBL934150 0.81 NOS1 (0.37) NOS1NOS3NOS2CA1CA2
SCHEMBL13847625 0.81 NOS1 (0.37) NOS1NOS3NOS2CA1CA2
SCHEMBL17449756 0.81 CTSK (0.38) NOS1NOS3NOS2CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8921026-B2 Basic compound, chemically amplified resist composition, and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-12-30 US disclosed
US-8921026-B2 Basic compound, chemically amplified resist composition, and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-12-30 US disclosed
CN-103044361-B Preparation method of (2R,3S)-epoxidation amino-benzene butane JIANGSU BAJU PHARMCEUTICAL CO LTD 2014-08-06 CN disclosed
US-8557979-B2 Carbapenem antibacterials with gram-negative activity and processes for their preparation FOB SYNTHESIS, INC. (US) 2013-10-15 US disclosed
US-8557979-B2 Carbapenem antibacterials with gram-negative activity and processes for their preparation FOB SYNTHESIS, INC. (US) 2013-10-15 US disclosed
US-20120296084-A1 Carbapenem Antibacterials with Gram-Negative Activity and Processes for Their Preparation FOB SYNTHESIS, INC. (US) 2012-11-22 US disclosed
US-8232268-B2 Carbapenem antibacterials with gram-negative activity and processes for their preparation FOB SYNTHESIS, INC. (US) 2012-07-31 US disclosed
EP-2463714-A1 Basic compound, chemically amplified resist composition and patterning process Shin-Etsu Chemical Co., Ltd. (JP) 2012-06-13 EP disclosed
US-20120141938-A1 BASIC COMPOUND, CHEMICALLY AMPLIFIED RESIST COMPOSITION, AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-06-07 US disclosed
US-20120141938-A1 BASIC COMPOUND, CHEMICALLY AMPLIFIED RESIST COMPOSITION, AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-06-07 US disclosed
US-20100160284-A1 CARBAPENEM ANTIBACTERIALS WITH GRAM-NEGATIVE ACTIVITY AND PROCESSES FOR THEIR PREPARATION FOB SYNTHESIS, INC., (US) 2010-06-24 US disclosed
US-20100160284-A1 CARBAPENEM ANTIBACTERIALS WITH GRAM-NEGATIVE ACTIVITY AND PROCESSES FOR THEIR PREPARATION FOB SYNTHESIS, INC., (US) 2010-06-24 US disclosed
US-7683049-B2 Carbapenem antibacterials with gram-negative activity and processes for their preparation FOB SYNTHESIS, INC. (US) 2010-03-23 US disclosed
US-7683049-B2 Carbapenem antibacterials with gram-negative activity and processes for their preparation FOB SYNTHESIS, INC. (US) 2010-03-23 US disclosed
EP-2127650-A2 Carbapenem antibacterials with gram-negative activity and processes for their preparation FOB Synthesis, Inc. (US) 2009-12-02 EP disclosed
US-7091227-B2 Benzothiazole derivatives ABBOTT GMBH & CO. KG (DE) 2006-08-15 US disclosed
US-20030153568-A1 Benzothiazole derivatives BASF AKTIENGESELLSCHAFT LUDWIGSHAFEN, GERMANY 2003-08-14 US disclosed
CN-1422262-A 2-benzothiazolyl urea derivatives and their use as protein kinase inhibitors ABBOTT GMBH & CO KG (DE) 2003-06-04 CN disclosed
EP-1254123-A1 2-BENZOTHIAZOLYL UREA DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS Abbott GmbH & Co. KG (DE) 2002-11-06 EP disclosed
WO-2001057008-A1 2-BENZOTHIAZOLYL UREA DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS ABBOTT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG & COMPANY KOMMANDITGESELLSCHAFT (DE) 2001-08-09 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 (4 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-20120296084-A1 Carbapenem Antibacterials with Gram-Negative Activity and Processes for Their Preparation MGAM, GSK3B, GSK3A GABRR1 3381/4885NOS1 1051/4885NOS3 1545/4885
US-20030153568-A1 Benzothiazole derivatives TK1, FLT1, CDK1 GABRR1 2181/4885NOS1 672/4885NOS3 985/4885
US-20100160284-A1 CARBAPENEM ANTIBACTERIALS WITH GRAM-NEGATIVE ACTIVITY AND PROCESSES FOR THEIR PREPARATION MGAM, GSK3B, GSK3A GABRR1 3381/4885NOS1 1051/4885NOS3 1545/4885
US-20120141938-A1 BASIC COMPOUND, CHEMICALLY AMPLIFIED RESIST COMPOSITION, AND PATTERNING PROCESS GABRA5, GABRB1, GABBR1 GABRR1 23/4885NOS1 3156/4885NOS3 3310/4885

“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.