SCHEMBL4430153

SCHEMBL4430153

CCOC(=O)Nc1cc(C(O)CNC(C)C)ccc1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 4/20 0.59
MAPT P10636 5/20 0.57
ADRB2 P07550 5/20 0.57
KDM4E B2RXH2 4/20 0.57
TDP1 Q9NUW8 4/20 0.57
TSHR P16473 4/20 0.57
CYP1A2 P05177 4/20 0.57
ADRB1 P08588 3/20 0.57
MAPK1 P28482 3/20 0.57
HSD17B10 Q99714 3/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
HIF1A Q16665 3/20 0.57
MTOR P42345 2/20 0.57
LMNA P02545 2/20 0.57
CYP3A4 P08684 2/20 0.57
NFKB1 P19838 2/20 0.57
CYP2C19 P33261 2/20 0.57
ALDH1A1 P00352 1/20 0.57
HPGD P15428 1/20 0.57

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
SCHEMBL11670110 0.83 ADRB2 (0.52) ADRB3ADRB2ADRB1
SCHEMBL4427576 0.82 ADRB3 (0.64) ADRB3MAPTADRB2KDM4ETDP1
SCHEMBL11028018 0.81 CYP1A2 (0.57) ADRB3MAPTADRB2KDM4ETDP1
SCHEMBL11823870 0.81 ADRB3 (0.63) ADRB3MAPTADRB2KDM4ETDP1
SCHEMBL11816799 0.81 ADRB3 (0.63) ADRB3MAPTADRB2KDM4ETDP1
Hydrochloric Acid SCHEMBL11431747 0.81 ADRB2 (0.56) ADRB3MAPTADRB2KDM4ETDP1
Hydrochloric Acid SCHEMBL11823842 0.80 TSHR (0.62) ADRB3MAPTADRB2KDM4ETDP1
SCHEMBL11878468 0.77 MAPT (0.71) ADRB3MAPTADRB2KDM4ETDP1
SCHEMBL278660 0.76 ADRB3 (0.66) ADRB3MAPTADRB2KDM4ETDP1
SCHEMBL8009724 0.75 CYP1A2 (0.75) MAPTCYP1A2MAPK1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090285900-A1 COMBINATION OF DEHYDROEPIANDROSTERONE OR DEHYDROEPIANDROSTERONE-SULFATE WITH A BETA-AGONIST BRONCHODILATOR FOR TREATMENT OF ASTHMA OR CHRONIC OBSTRUCTIVE PULMONARY DISEASE EPIGENESIS PHARMACEUTICALS, LLC 2009-11-19 US disclosed
EP-1651168-A4 COMBINATION OF DEHYDROEPIANDROSTERONE OR DEHYDROEPIANDROSTERONE-SULFATE WITH A BETA-AGONIST BRONCHODILATOR FOR TREATMENT OF ASTHMA OR CHRONIC OBSTRUCTIVE PULMONARY DISEASE EPIGENESIS PHARMACEUTICALS LLC (US) 2009-04-01 EP disclosed
EP-1651168-A2 COMBINATION OF DEHYDROEPIANDROSTERONE OR DEHYDROEPIANDROSTERONE-SULFATE WITH A BETA-AGONIST BRONCHODILATOR FOR TREATMENT OF ASTHMA OR CHRONIC OBSTRUCTIVE PULMONARY DISEASE Epigenesis Pharmaceuticals LLC (US) 2006-05-03 EP disclosed
US-20050113318-A1 Combination of dehydroepiandrosterone or dehydroepiandrosterone-sulfate with a beta-agonist bronchodilator for treatment of asthma or chronic obstructive pulmonary disease EPIGENESIS PHARMACUETICALS, LLC 2005-05-26 US disclosed
WO-2005011603-A2 COMBINATION OF DEHYDROEPIANDROSTERONE OR DEHYDROEPIANDROSTERONE-SULFATE WITH A BETA-AGONIST BRONCHODILATOR FOR TREATMENT OF ASTHMA OR CHRONIC OBSTRUCTIVE PULMONARY DISEASE EPIGENESIS PHARMACEUTICALS LLC (US) 2005-02-10 WO disclosed
US-20050026884-A1 Combination of dehydroepiandrosterone or dehydroepiandrosterone-sulfate with a beta-agonist bronchodilator for treatment of asthma or chronic obstructive pulmonary disease EPIGENESIS PHARMACEUTICALS LLC 2005-02-03 US disclosed
US-3994974-A BRONCHODILATORS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JA) 1976-11-30 US 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 (3 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-20050113318-A1 Combination of dehydroepiandrosterone or dehydroepiandrosterone-sulfate with a beta-agonist bronchodilator for treatment of asthma or chronic obstructive pulmonary disease HSD3B2, ADRB2, HSD11B2 ADRB3 14/4885MAPT 4261/4885ADRB2 2/4885
US-20050026884-A1 Combination of dehydroepiandrosterone or dehydroepiandrosterone-sulfate with a beta-agonist bronchodilator for treatment of asthma or chronic obstructive pulmonary disease HSD3B2, HSD3B1, ADRB2 ADRB3 14/4885MAPT 4193/4885ADRB2 3/4885
US-20090285900-A1 COMBINATION OF DEHYDROEPIANDROSTERONE OR DEHYDROEPIANDROSTERONE-SULFATE WITH A BETA-AGONIST BRONCHODILATOR FOR TREATMENT OF ASTHMA OR CHRONIC OBSTRUCTIVE PULMONARY DISEASE HSD3B2, ADRB2, HSD11B2 ADRB3 14/4885MAPT 4261/4885ADRB2 2/4885

“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.