SCHEMBL594098

SCHEMBL594098

CC(C)(C)NCc1c(CO)ccc(O)c1CO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 4/20 0.44
HIF1A Q16665 2/20 0.44
ADRB1 P08588 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
TSHR P16473 1/20 0.44
NFKB1 P19838 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
PMP22 Q01453 1/20 0.40
KLF10 Q13118 1/20 0.40
LMNA P02545 2/20 0.37
KDM4E B2RXH2 3/20 0.34
NPC1 O15118 1/20 0.34
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33

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
SCHEMBL30169480 1.00 ADRB2 (0.44) ADRB2HIF1AADRB1CYP1A2CYP2D6
Sulfuric Acid SCHEMBL2524101 0.92 PMP22 (0.50) ADRB2HIF1AADRB1CYP1A2CYP2D6
Sulfuric Acid SCHEMBL21825446 0.92 PMP22 (0.50) ADRB2HIF1AADRB1CYP1A2CYP2D6
SCHEMBL3136060 0.83 ADRB2 (0.42) ADRB2HIF1AADRB1CYP1A2CYP2D6
SCHEMBL30254390 0.80 PMP22 (0.40) ADRB2HIF1AADRB1CYP1A2CYP2D6
Water SCHEMBL28944323 0.79 PMP22 (0.39) ADRB2HIF1AADRB1CYP1A2CYP2D6
SCHEMBL4258634 0.79 CYP2D6 (0.47) ADRB2HIF1AADRB1CYP1A2CYP2D6
SCHEMBL207165 0.77 KDM4E (0.41) CYP1A2TSHRTDP1KLF10LMNA
SCHEMBL11278988 0.76 HIF1A (0.40) ADRB2HIF1AADRB1CYP1A2CYP2D6
SCHEMBL9873217 0.73 ADRB2 (0.38) ADRB2HIF1AADRB1CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190105404-A1 INHALANT FORMULATION CONTAINING SULFOALKYL ETHER CYCLODEXTRIN AND CORTICOSTEROID CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2019-04-11 US claimed
US-10799599-B2 Inhalant formulation containing sulfoalkyl ether cyclodextrin and corticosteroid CYDEX PHARMACEUTICALS, INC. (US) 2020-10-13 US disclosed
US-20190105404-A1 INHALANT FORMULATION CONTAINING SULFOALKYL ETHER CYCLODEXTRIN AND CORTICOSTEROID CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2019-04-11 US disclosed
US-10207008-B2 Inhalant formulation containing sulfoalkyl ether cyclodextrin and corticosteroid CYDEX PHARMACEUTICALS, INC. (US) 2019-02-19 US disclosed
US-10159752-B2 Inhalant formulation containing sulfoalkyl ether cyclodextrin and corticosteroid CYDEX PHARMACEUTICALS, INC. (US) 2018-12-25 US disclosed
US-10117940-B2 DPI formulation containing sulfoalkyl ether cyclodextrin CYDEX PHARMACEUTICALS, INC. (US) 2018-11-06 US disclosed
EP-3238708-A1 INHALANT FORMULATION CONTAINING CYCLODEXTRIN AND CORTICOSTEROID CyDex Pharmaceuticals, Inc. (US) 2017-11-01 EP disclosed
US-8623851-B2 Formoterol/steroid bronchodilating compositions and methods of use thereof MYLAN SPECIALTY L.P. (US) 2014-01-07 US disclosed
US-20130303498-A1 Inhalant Formulation Containing Sulfoalkyl Ether Cyclodextrin and Corticosteroid CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2013-11-14 US disclosed
US-20130197105-A1 DPI FORMULATION CONTAINING SULFOALKYL ETHER CYCLODEXTRIN CYDEX PHARMACEUTICALS, INC. (US) 2013-08-01 US disclosed
WO-2002083113-A2 AEROSOL COMPOSITIONS CONTAINING FORMOTEROL AND A STEROID SUCH AS E.G. BUDESONIDE OR FLUTICASONE FOR DELIVERY INTO THE LUNGS VIA NEBULIZATION DEY, L.P. (US) 2002-10-24 WO disclosed
WO-2002083079-A2 AEROSOL COMPOSITIONS CONTAINING FORMOTEROL FOR DELIVERY TO THE LUNGS VIA NEBULIZATION DEY, L.P. (US) 2002-10-24 WO disclosed
US-5708036-A Method of treating premature uterine contractions using the optically active R(-)-isomer of albuterol SAVOR, EVELYN (LYN) P. 1998-01-13 US disclosed
US-5686413-A FOR IMPROVING GROWTH PROMOTION OR FEED EFFICIENCY ELI LILLY AND COMPANY (US) 1997-11-11 US disclosed
US-5025005-A Preventive or therapeutic agents for circulatory diseases, allergic disorders; antineoplastic agent; inhibitor for platelet activating factor TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1991-06-18 US disclosed
US-5011993-A Method for the preparation of α1 [[(1,1-dimethylethyl)amino]methyl]-4-hydroxy-1,3-benzenedimethanol SCHERING CORPORATION (US) 1991-04-30 US disclosed
US-5011993-A Method for the preparation of α1 [[(1,1-dimethylethyl)amino]methyl]-4-hydroxy-1,3-benzenedimethanol SCHERING CORPORATION (US) 1991-04-30 US disclosed
US-4952729-A Intermediates in the preparation of alpha1(((1,1-dimethylethyl) amino) methyl)-4-hydroxy-1,3-benzenedimethanol SCHERING-PLOUGH CORP. (US) 1990-08-28 US disclosed
US-4737518-A ANTIALLERGENS, ANTINEOPLASTICS, ANTICOAGULANTS, CIRCULATORY DISEASES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1988-04-12 US disclosed
EP-0259159-A2 Method for the preparation of alpha1- [[(1,1-Dimethylethyl) amino] methyl]-4-hydroxy-1,3-benzenedimethanol, and intermediates used in its preparation SCHERING CORPORATION (US) 1988-03-09 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 (7 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-20130303498-A1 Inhalant Formulation Containing Sulfoalkyl Ether Cyclodextrin and Corticosteroid STS, SAE1, PDCD2L ADRB2 1076/4885HIF1A 4648/4885ADRB1 805/4885
US-20130197105-A1 DPI FORMULATION CONTAINING SULFOALKYL ETHER CYCLODEXTRIN DSP, DSC1, SAE1 ADRB2 1196/4885HIF1A 4847/4885ADRB1 1315/4885
US-10799599-B2 Inhalant formulation containing sulfoalkyl ether cyclodextrin and corticosteroid STS, SAE1, PDCD2L ADRB2 1076/4885HIF1A 4648/4885ADRB1 805/4885
US-20190105404-A1 INHALANT FORMULATION CONTAINING SULFOALKYL ETHER CYCLODEXTRIN AND CORTICOSTEROID STS, SAE1, PDCD2L ADRB2 1076/4885HIF1A 4648/4885ADRB1 805/4885
US-10207008-B2 Inhalant formulation containing sulfoalkyl ether cyclodextrin and corticosteroid STS, SAE1, PDCD2L ADRB2 1076/4885HIF1A 4648/4885ADRB1 805/4885
US-10159752-B2 Inhalant formulation containing sulfoalkyl ether cyclodextrin and corticosteroid STS, SAE1, PDCD2L ADRB2 1076/4885HIF1A 4648/4885ADRB1 805/4885
US-10117940-B2 DPI formulation containing sulfoalkyl ether cyclodextrin DSP, DSC1, SAE1 ADRB2 1196/4885HIF1A 4847/4885ADRB1 1315/4885

“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.