SCHEMBL632222

SCHEMBL632222

O=C(CCl)c1cc(OCc2ccccc2)cc2[nH]c(=O)ccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSV O60911 3/20 0.50
CTSL P07711 3/20 0.50
ALDH1A1 P00352 3/20 0.48
HPGD P15428 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MDH2 P40926 1/20 0.48
MAOB P27338 2/20 0.47
ACHE P22303 1/20 0.47
RHEB Q15382 1/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 1/20 0.43
NSD2 O96028 1/20 0.41
ABL1 P00519 1/20 0.41
PPARG P37231 1/20 0.41
RIN1 Q13671 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
KDM4E B2RXH2 2/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL5727218 0.95 CTSV (0.46) CTSVCTSLALDH1A1HPGDSMN1; SMN2
SCHEMBL632392 0.86 MAOB (0.52) CTSVCTSLALDH1A1HPGDSMN1; SMN2
SCHEMBL6823832 0.80 MDH2 (0.70) ALDH1A1HPGDSMN1; SMN2MDH2MEN1
SCHEMBL867483 0.75 SMN1; SMN2 (0.41) ALDH1A1HPGDSMN1; SMN2MDH2MEN1
SCHEMBL17780933 0.73 CTSV (0.64) CTSVCTSLALDH1A1HPGDSMN1; SMN2
SCHEMBL7382353 0.72 MEN1 (0.64) ALDH1A1HPGDSMN1; SMN2MDH2MEN1
SCHEMBL11803091 0.72 MEN1 (0.53) CTSVCTSLSMN1; SMN2MAOBMEN1
SCHEMBL632836 0.72 CTSV (0.50) CTSVCTSLALDH1A1HPGDSMN1; SMN2
SCHEMBL30507458 0.72 MAOB (0.79) CTSVCTSLALDH1A1HPGDSMN1; SMN2
SCHEMBL7654099 0.72 MAOB (0.79) CTSVCTSLALDH1A1HPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1794154-B1 HETEROARYL COMPOUNDS FOR USE AS BETAMIMETICS IN THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INT (DE) 2013-02-27 EP disclosed
EP-1901776-B1 NOVEL MEDICINAL COMBINATIONS WHICH ARE USED FOR TREATING RESPIRATORY TRACT DISEASES AND CONTAIN BETA-2 LONG-ACTING AGONISTS AND AT LEAST ONE OTHER TYPE OF ACTIVE SUBSTANCE BOEHRINGER INGELHEIM INT (DE) 2012-02-22 EP disclosed
US-20100297028-A1 MEDICAMENT COMBINATIONS FOR THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-25 US disclosed
US-7632834-B2 Long acting beta-2-agonists and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-12-15 US disclosed
EP-1986644-A1 DRUG COMBINATIONS FOR THE TREATMENT OF RESPIRATORY TRACT DISEASES Boehringer Ingelheim International GmbH (DE) 2008-11-05 EP disclosed
US-7429583-B2 Betamimetics for the treatment of respiratory complaints BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-09-30 US disclosed
US-20080194550-A1 LONG ACTING BETA-2-AGONISTS AND THEIR USE AS MEDICAMENTS BOUYSSOU THIERRY 2008-08-14 US disclosed
US-7375104-B2 Long acting beta-2-agonists and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-05-20 US disclosed
EP-1911749-A1 New long-working Beta-2 agonists and their use as medicine Boehringer Ingelheim International GmbH (DE) 2008-04-16 EP disclosed
EP-1901776-A1 NOVEL MEDICINAL COMBINATIONS WHICH ARE USED FOR TREATING RESPIRATORY TRACT DISEASES AND CONTAIN BETA-2 LONG-ACTING AGONISTS AND AT LEAST ONE OTHER TYPE OF ACTIVE SUBSTANCE Boehringer Ingelheim International GmbH (DE) 2008-03-26 EP disclosed
US-20070037781-A1 Novel combinations of medicaments for the treatment of respiratory diseases containing long-acting beta-agonists and at least one additional active ingredient BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-15 US disclosed
WO-2007003554-A1 NOVEL MEDICINAL COMBINATIONS WHICH ARE USED FOR TREATING RESPIRATORY TRACT DISEASES AND CONTAIN BETA-2 LONG-ACTING AGONISTS AND AT LEAST ONE OTHER TYPE OF ACTIVE SUBSTANCE. BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-01-11 WO disclosed
US-7160882-B2 Long acting β-2-agonists and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-01-09 US disclosed
EP-1711480-A1 NOVEL LONG-WORKING BETA-2-AGONISTS AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2006-10-18 EP disclosed
WO-2006032627-A1 HETEROARYL COMPOUNDS FOR USE AS BETAMIMETICS IN THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-03-30 WO disclosed
US-20060063817-A1 New betamimetics for the treatment of respiratory complaints BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-03-23 US disclosed
US-20050277632-A1 Beta agonists for the treatment of respiratory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-12-15 US disclosed
WO-2005110990-A1 HYDROXY-SUBSTITUTED BENZO-CONDENSED HETEROCYCLES FOR USE AS BETA AGONISTS IN THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-24 WO disclosed
US-20050227975-A1 New long acting beta-2-agonists and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-10-13 US disclosed
WO-2005070908-A1 NOVEL LONG-WORKING BETA-2-AGONISTS AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-08-04 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 (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-20050227975-A1 New long acting beta-2-agonists and their use as medicaments ADRB2, ADRA2A, ADRB1 CTSV 2454/4885CTSL 1866/4885ALDH1A1 1311/4885
US-20060063817-A1 New betamimetics for the treatment of respiratory complaints CHRM1, ADRB1, ADRA1B CTSV 4074/4885CTSL 1773/4885ALDH1A1 1726/4885
US-20070037781-A1 Novel combinations of medicaments for the treatment of respiratory diseases containing long-acting beta-agonists and at least one additional active ingredient ADRB2, ADRA2A, ADRB1 CTSV 1750/4885CTSL 936/4885ALDH1A1 1413/4885
US-20050277632-A1 Beta agonists for the treatment of respiratory diseases ADRB1, ADRB2, ADRA1B CTSV 3944/4885CTSL 2556/4885ALDH1A1 1124/4885
US-20080194550-A1 LONG ACTING BETA-2-AGONISTS AND THEIR USE AS MEDICAMENTS ADRB2, ADRB1, CHRM1 CTSV 2623/4885CTSL 2632/4885ALDH1A1 1461/4885
US-20100297028-A1 MEDICAMENT COMBINATIONS FOR THE TREATMENT OF RESPIRATORY DISEASES CHRM1, CHRM2, MTNR1B CTSV 1135/4885CTSL 348/4885ALDH1A1 993/4885

“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.