SCHEMBL112016

SCHEMBL112016

CCOC(=O)[C@H](N)CCS

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 1/20 0.44
ALOX15 P16050 1/20 0.41
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 2/20 0.39
NOD1 Q9Y239 2/20 0.38
ANPEP P15144 1/20 0.38
ENPEP Q07075 1/20 0.38
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GAA P10253 2/20 0.36
MGAM O43451 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
SOAT1 P35610 1/20 0.36
PTGS1 P23219 1/20 0.34
SLC7A11 Q9UPY5 1/20 0.34
CAD P27708 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
SCHEMBL112014 1.00 CPB2 (0.44) CPB2ALOX15CYP2D6CYP2C9CYP2C19
SCHEMBL112015 1.00 CPB2 (0.44) CPB2ALOX15CYP2D6CYP2C9CYP2C19
SCHEMBL1176235 0.86 ALOX15 (0.48) CPB2ALOX15CYP2D6CYP2C9CYP2C19
SCHEMBL14608482 0.86 CPB2 (0.49) CPB2ALOX15CYP2D6CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL7001552 0.84 ALOX15 (0.46) CPB2ALOX15CYP2D6CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL1176232 0.84 ALOX15 (0.46) CPB2ALOX15CYP2D6CYP2C9CYP2C19
SCHEMBL110467 0.83 NOD1 (0.37) CPB2ALDH1A1NOD1ANPEPENPEP
SCHEMBL110469 0.83 NOD1 (0.37) CPB2ALDH1A1NOD1ANPEPENPEP
SCHEMBL110468 0.83 NOD1 (0.37) CPB2ALDH1A1NOD1ANPEPENPEP
SCHEMBL111398 0.82

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2309983-B1 PHARMACEUTICAL FORM COMPRISING TETRAHYDROBIOPTERIN ORPHA SWISS GMBH (CH) 2019-04-24 EP claimed
CN-102802605-A Stable lipid formulations of apoptosis promoters ABBOTT LAB 2012-11-28 CN claimed
EP-2424499-A1 STABILIZED LIPID FORMULATION OF APOPTOSIS PROMOTER Abbott Laboratories (US) 2012-03-07 EP claimed
US-20110144117-A1 Pharmaceutical Dosage Form Containing Tetrahydrobiopterin ORPHA SWISS GMBH (CH) 2011-06-16 US claimed
WO-2010127193-A1 STABILIZED LIPID FORMULATION OF APOPTOSIS PROMOTER ABBOTT LABORATORIES (US) 2010-11-04 WO claimed
US-20100278905-A1 STABILIZED LIPID FORMULATION OF APOPTOSIS PROMOTER ABBVIE INC. 2010-11-04 US claimed
CN-112334167-A Hydrogel compositions comprising crosslinked polymers 克罗马药品有限责任公司 2021-02-05 CN disclosed
CN-112334166-A Hydrogel compositions comprising crosslinked polymers 克罗马药品有限责任公司 2021-02-05 CN disclosed
CN-102655858-B ABT-263 capsule ABBVIE (US) 2015-11-25 CN disclosed
CN-102802605-B Stable lipid formulations of apoptosis promoters ABBVIE (US) 2015-08-12 CN disclosed
US-8927009-B2 ABT-263 capsule ABBVIE INC. (US) 2015-01-06 US disclosed
US-8728516-B2 Stabilized lipid formulation of apoptosis promoter ABBVIE INC. (US) 2014-05-20 US disclosed
US-8513243-B2 ABT-263 crystalline forms ABBVIE INC. (US) 2013-08-20 US disclosed
US-5720944-A POLYGLYCOL MONOTHIO(GLYCOLATE OR LACTATE) AS REDUCING AGENTS KAO CORPORATION (JP) 1998-02-24 US disclosed
US-5720945-A 1,3-butanediol thioglycollate isomer mixture and permanent waving composition comprising same KAO CORPORATION (JP) 1998-02-24 US disclosed
EP-0734715-A2 1,3-Butanediol thioglycolate isomer mixture and permanent waving composition comprising same Kao Corporation (JP) 1996-10-02 EP disclosed
EP-0734716-A2 Composition for permanent waving of human hair Kao Corporation (JP) 1996-10-02 EP disclosed
EP-0297621-B1 Cyclic amino-thioacetal amides, a process for the preparation thereof and pharmaceutical compositions containing them BOEHRINGER MANNHEIM ITALIA (IT) 1994-09-21 EP disclosed
US-4988701-A Cyclic amino-thioacetal amides, a process for the preparation thereof and pharmaceutical compositions BOEHRINGER BIOCHEMIA ROBIN S.P.A. (IT) 1991-01-29 US disclosed
EP-0297621-A2 Cyclic amino-thioacetal amides, a process for the preparation thereof and pharmaceutical compositions containing them BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1989-01-04 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 (2 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-20100278905-A1 STABILIZED LIPID FORMULATION OF APOPTOSIS PROMOTER BCL2, BAX, BCOR CPB2 4292/4885ALOX15 615/4885CYP2D6 1190/4885
US-20110144117-A1 Pharmaceutical Dosage Form Containing Tetrahydrobiopterin QDPR, MTHFD2, DHODH CPB2 765/4885ALOX15 465/4885CYP2D6 27/4885

“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.