SCHEMBL2585166

SCHEMBL2585166

COC(=O)c1cc(C(O)CNC(C)(C)C)ccc1O

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 8/20 0.59
ADRB1 P08588 6/20 0.59
TSHR P16473 2/20 0.59
HIF1A Q16665 2/20 0.59
CYP1A2 P05177 1/20 0.59
CYP2D6 P10635 1/20 0.59
NFKB1 P19838 1/20 0.59
TDP1 Q9NUW8 1/20 0.58
ADRB3 P13945 5/20 0.58
PMP22 Q01453 1/20 0.56
ADRA1D P25100 3/20 0.50
ADRA1A P35348 3/20 0.50
ADRA1B P35368 3/20 0.50
LMNA P02545 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CASP7 P55210 1/20 0.50
KMT2A Q03164 1/20 0.50
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49

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
SCHEMBL14134261 0.86 ADRB2 (0.49) ADRB2ADRB1TSHRHIF1ACYP1A2
SCHEMBL14134262 0.86 ADRB2 (0.49) ADRB2ADRB1TSHRHIF1ACYP1A2
SCHEMBL8067713 0.86 ADRB2 (0.62) ADRB2ADRB1TSHRHIF1ACYP1A2
Hydrochloric Acid SCHEMBL11596685 0.84 TDP1 (0.61) ADRB2ADRB1TSHRHIF1ACYP1A2
SCHEMBL13589394 0.80 CA12 (0.54) ADRB2ADRB1TSHRNFKB1ADRB3
SCHEMBL9701421 0.80 NFKB1 (0.59) ADRB2ADRB1TSHRHIF1ANFKB1
SCHEMBL7154449 0.80 NFKB1 (0.59) ADRB2ADRB1TSHRHIF1ANFKB1
Colterol SCHEMBL3207818 0.79 ADRB2 (0.72) ADRB2ADRB1TSHRHIF1ACYP1A2
Colterol SCHEMBL3220142 0.79 ADRB2 (0.72) ADRB2ADRB1TSHRHIF1ACYP1A2
Colterol SCHEMBL249585 0.79 ADRB2 (0.72) ADRB2ADRB1TSHRHIF1ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0763010-B1 ENANTIOSELECTIVE PREPARATION OF OPTICALLY PURE ALBUTEROL SEPRACOR INC (US) 2000-08-30 EP claimed
EP-0763010-A4 ENANTIOSELECTIVE PREPARATION OF OPTICALLY PURE ALBUTEROL SEPRACOR INC (US) 1997-07-16 EP claimed
EP-0763010-A1 ENANTIOSELECTIVE PREPARATION OF OPTICALLY PURE ALBUTEROL SEPRACOR, INC. (US) 1997-03-19 EP claimed
WO-1995032178-A1 ENANTIOSELECTIVE PREPARATION OF OPTICALLY PURE ALBUTEROL SEPRACOR, INC. (US) 1995-11-30 WO claimed
US-5399765-A Salt formation SEPRACOR, INC. (US) 1995-03-21 US claimed
EP-2099740-B1 A PROCESS FOR THE PREPARATION OF OPTICALLY PURE R (-) SALBUTAMOL AND ITS PHARMACEUTICALLY ACCEPTABLE SALTS AARTI HEALTHCARE LTD (IN) 2013-08-14 EP disclosed
US-8063251-B2 Process for the preparation of optically pure R (−) salbutamol and its pharmaceutically acceptable salts AARTI HEALTHCARE LIMITED (IN) 2011-11-22 US disclosed
US-20100204516-A1 PROCESS FOR THE PREPARATION OF OPTICALLY PURE R (-) SALBUTAMOL AND ITS PHARMACEUTICALLY ACCEPTABLE SALTS AARTI HEALTHCARE LIMITED (IN) 2010-08-12 US disclosed
EP-2099740-A1 A PROCESS FOR THE PREPARATION OF OPTICALLY PURE R (-) SALBUTAMOL AND ITS PHARMACEUTICALLY ACCEPTABLE SALTS Aarti Healthcare Limited (IN) 2009-09-16 EP disclosed
US-7482489-B2 Enantiomerically pure (R)-albuterol dibenzoyltartrate and protected analogs thereof TEVA PHARMACEUTICAL FINE CHEMICALS S.R.L. (IT) 2009-01-27 US disclosed
US-7482489-B2 Enantiomerically pure (R)-albuterol dibenzoyltartrate and protected analogs thereof TEVA PHARMACEUTICAL FINE CHEMICALS S.R.L. (IT) 2009-01-27 US disclosed
US-7482489-B2 Enantiomerically pure (R)-albuterol dibenzoyltartrate and protected analogs thereof TEVA PHARMACEUTICAL FINE CHEMICALS S.R.L. (IT) 2009-01-27 US disclosed
EP-1747189-A1 PREPARATION OF LEVALBUTEROL HYDROCHLORIDE Teva Pharmaceutical Fine Chemicals S.R.L. (IT) 2007-01-31 EP disclosed
WO-2005113481-A1 PREPARATION OF LEVALBUTEROL HYDROCHLORIDE TEVA PHARMACEUTICAL FINE CHEMICALS S.R.L. (IT) 2005-12-01 WO disclosed
US-20050261368-A1 Preparation of levalbuterol hydrochloride TEVA PHARMACEUTICAL FINE CHEMICALS S.R.I. (IT) 2005-11-24 US disclosed
EP-0763010-B1 ENANTIOSELECTIVE PREPARATION OF OPTICALLY PURE ALBUTEROL SEPRACOR INC (US) 2000-08-30 EP disclosed
EP-0763010-A4 ENANTIOSELECTIVE PREPARATION OF OPTICALLY PURE ALBUTEROL SEPRACOR INC (US) 1997-07-16 EP disclosed
EP-0763010-A1 ENANTIOSELECTIVE PREPARATION OF OPTICALLY PURE ALBUTEROL SEPRACOR, INC. (US) 1997-03-19 EP disclosed
WO-1995032178-A1 ENANTIOSELECTIVE PREPARATION OF OPTICALLY PURE ALBUTEROL SEPRACOR, INC. (US) 1995-11-30 WO disclosed
US-5399765-A Salt formation SEPRACOR, INC. (US) 1995-03-21 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 (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-20100204516-A1 PROCESS FOR THE PREPARATION OF OPTICALLY PURE R (-) SALBUTAMOL AND ITS PHARMACEUTICALLY ACCEPTABLE SALTS FFAR4, ADRB1, NR1H4 ADRB2 12/4885ADRB1 2/4885TSHR 1107/4885
US-20050261368-A1 Preparation of levalbuterol hydrochloride LDHB, DLST, DAGLB ADRB2 144/4885ADRB1 88/4885TSHR 2097/4885

“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.