SCHEMBL158695

SCHEMBL158695

CCOC(=O)Nc1c(F)cc(C(O)CNC(C)(C)C)cc1C#N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.40
ADRB2 P07550 5/20 0.40
CYP2D6 P10635 2/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
KCNH2 Q12809 1/20 0.40
CYP2C19 P33261 1/20 0.40
CASP7 P55210 2/20 0.40
KMT2A Q03164 2/20 0.40
HIF1A Q16665 2/20 0.40
TSHR P16473 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 1/20 0.40
KDM4E B2RXH2 2/20 0.39
CASP1 P29466 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.39
BLM P54132 1/20 0.39
ADRB1 P08588 3/20 0.37
HTR1A P08908 1/20 0.37

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
SCHEMBL29798791 1.00 LMNA (0.40) LMNAADRB2CYP2D6BCHEACHE
Hydrochloric Acid SCHEMBL8886084 0.99 LMNA (0.39) LMNAADRB2CYP2D6BCHEACHE
SCHEMBL11026792 0.90 ADRB2 (0.39) LMNAADRB2CYP2D6BCHEACHE
Hydrochloric Acid SCHEMBL11055432 0.89 LMNA (0.38) LMNAADRB2CYP2D6BCHEACHE
SCHEMBL11023914 0.84 LMNA (0.42) LMNAADRB2CYP2D6BCHEACHE
SCHEMBL11026312 0.84 LMNA (0.50) LMNAADRB2CYP2D6BCHEACHE
Hydrochloric Acid SCHEMBL11059071 0.83 LMNA (0.41) LMNAADRB2CYP2D6BCHEACHE
Hydrochloric Acid SCHEMBL10896355 0.83 LMNA (0.51) LMNAADRB2CYP2D6BCHEACHE
SCHEMBL121592 0.83 ADRB2 (0.38) LMNAADRB2KMT2AADRB1
SCHEMBL2720869 0.81 ADRB2 (0.48) ADRB2KMT2AKDM4ESMN1; SMN2MEN1

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 1167 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2522340-A1 Method of using a thiazole derivative OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-11-14 EP claimed
US-20120010179-A1 Methods of using a thiazole derivative OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-01-12 US claimed
EP-1617819-B1 RADIOACTIVELY MARKED MICROPARTICLES, METHOD FOR THE PRODUCTION THEREOF AND USE OF THE SAME BOEHRINGER INGELHEIM INT (DE) 2011-08-17 EP claimed
US-20110014134-A1 SUSPENSION AEROSOL FORMULATIONS OF PHARMACEUTICAL PRODUCTS BOEHRINGER INGELHEIM KG (DE) 2011-01-20 US claimed
EP-2269648-A2 Pharmaceutical compositions based on anticholinergically effective compounds and beta-mimetics Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2011-01-05 EP claimed
EP-2269647-A2 Pharmaceutical compositions based on anticholinergically effective compounds and beta-mimetics Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2011-01-05 EP claimed
US-20100272638-A1 RADIOLABELLED MICROPARTICLES, PROCESSES FOR THE PREPARATION THEREOF AND THE USE THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-28 US claimed
EP-1408967-B1 PHARMACEUTICAL COMPOSITIONS BASED ON Tiotropium, Ciclesonide AND a BETAMIMETIC AGENT FOR THE TREATMENT OF INFLAMMATORY AND/OR OBSTRUCTIVE RESPIRATORY TRACT DISEASES BOEHRINGER INGELHEIM PHARMA (DE) 2009-10-28 EP claimed
US-20090104127-A1 SUSPENSION AEROSOL FORMULATIONS OF PHARMACEUTICAL PRODUCTS BOEHRINGER INGELHEIM KG (DE) 2009-04-23 US claimed
EP-2040686-A1 METHODS OF USING A THIAZOLE DERIVATIVE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-04-01 EP claimed
WO-1997005136-A1 IPRATROPIUM BROMIDE ENANTIOMER WITH A PROLONGED DURATION OF ACTION BOEHRINGER INGELHEIM KG (DE) 1997-02-13 WO claimed
EP-0514415-A1 NOVEL VEHICLE GAS MIXTURES AND THEIR USE IN MEDICAL PREPARATIONS BOEHRINGER INGELHEIM KG (DE) 1992-11-25 EP claimed
EP-0513099-A1 NOVEL VEHICLE GASES AND THEIR USE IN MEDICAL PREPARATIONS BOEHRINGER INGELHEIM KG (DE) 1992-11-19 EP claimed
WO-1991011496-A1 NOVEL VEHICLE GASES AND THEIR USE IN MEDICAL PREPARATIONS BOEHRINGER INGELHEIM KG (DE) 1991-08-08 WO claimed
WO-1991011495-A1 NOVEL VEHICLE GAS MIXTURES AND THEIR USE IN MEDICAL PREPARATIONS BOEHRINGER INGELHEIM KG (DE) 1991-08-08 WO claimed
EP-0201732-A2 Beta-2-mimetics of the 4-aminophenylethanolamine type for the prevention of peptic ulcers BOEHRINGER INGELHEIM VETMEDICA GMBH (DE) 1986-11-20 EP claimed
EP-0057900-B1 ANIMAL FEED ADDITIVE FOR IMPROVING GROWTH Dr. Karl Thomae GmbH (DE) 1985-05-08 EP claimed
EP-0008715-B1 PHENYLETHANOLAMINES FOR USE IN COMBATTING INFLAMMATORY CONDITIONS Dr. Karl Thomae GmbH (DE) 1981-11-25 EP claimed
US-4214001-A ANALGESICS, ANTISPASMODICS AND ANTIASTHMATICS BOEHRINGER INGELHEIM GMBH (DE) 1980-07-22 US claimed
EP-0008715-A1 Phenylethanolamines for use in combatting inflammatory conditions Dr. Karl Thomae GmbH (DE) 1980-03-19 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20120010179-A1 Methods of using a thiazole derivative ADRB2, NR3C2, ADRA2A LMNA 3085/4885ADRB2 1/4885CYP2D6 562/4885

“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.