SCHEMBL674690

SCHEMBL674690

COc1ccc(CCCNCC(O)c2cccc(N(O)C=O)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.54
GAA P10253 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
ADRB2 P07550 7/20 0.51
ADRB3 P13945 10/20 0.48
ADRB1 P08588 5/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL8842120 0.82 ADRB2 (0.59) ADRB2ADRB3ADRB1
SCHEMBL10725358 0.75 KDM4E (0.54) KDM4EGAASMN1; SMN2TDP1ADRB2
SCHEMBL15277792 0.74 ADRB2 (0.69) ADRB2ADRB3ADRB1
Oxalic Acid SCHEMBL7318481 0.74 KDM4E (0.64) KDM4EGAASMN1; SMN2TDP1ADRB2
Oxalic Acid SCHEMBL9239982 0.74 KDM4E (0.64) KDM4EGAASMN1; SMN2TDP1ADRB2
SCHEMBL10507768 0.74 ADRB3 (0.69) KDM4EGAASMN1; SMN2TDP1ADRB2
SCHEMBL9468370 0.73 ADRB3 (0.68) KDM4EGAASMN1; SMN2TDP1ADRB2
SCHEMBL10717538 0.72 KDM4E (0.90) KDM4EGAASMN1; SMN2TDP1ADRB2
SCHEMBL9239987 0.72 KDM4E (0.55) KDM4EGAASMN1; SMN2TDP1ADRB2
SCHEMBL7301591 0.72 KDM4E (0.55) KDM4EGAASMN1; SMN2TDP1ADRB2

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-8062627-B2 Bronchodilator; side efect reduction SUNOVION PHARMACEUTICALS INC. (US) 2011-11-22 US disclosed
US-20080161411-A1 METHODS AND COMPOSITIONS FOR TREATING PULMONARY DISORDERS USING OPTICALLY PURE (R,R)-FORMOTEROL SEPRACOR INC. (US) 2008-07-03 US disclosed
US-7368120-B2 Methods and compositions for treating pulmonary disorders using optically pure (R,R)-formoterol SEPRACOR INC. (US) 2008-05-06 US disclosed
US-20050131072-A1 Methods and compositions for treating pulmonary disorders using optically pure (R,R)-formoterol SEPRACOR INC. (US) 2005-06-16 US disclosed
US-6866839-B2 Methods and compositions for treating pulmonary disorders using optically pure (R,R)-formoterol SEPRACOR INC. (US) 2005-03-15 US disclosed
US-20030203970-A1 Methods and compositions for treating pulmonary disorders using optically pure (R,R) -formoterol SEPRACOR INC. (US) 2003-10-30 US disclosed
US-6068833-A ADMINISTERING TO A HUMAN SUFFERING FROM ASTHMA AN AMOUNT OF (R,R)-FORMOTEROL, OR A SALT TO CURE ASTHMA, CONTAINING 99% (R,R)-FORMOTEROL AND LESS THAN 1% (S,S)-FORMOTEROL; REDUCED HYPERSENSITIVITY SEPRACOR INC. (US) 2000-05-30 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-20030203970-A1 Methods and compositions for treating pulmonary disorders using optically pure (R,R) -formoterol ADRB2, ADRB1, PTGIR KDM4E 4852/4885GAA 3204/4885SMN1; SMN2 2376/4885
US-20050131072-A1 Methods and compositions for treating pulmonary disorders using optically pure (R,R)-formoterol ADRB2, ADRB1, PTGIR KDM4E 4852/4885GAA 3204/4885SMN1; SMN2 2376/4885
US-20080161411-A1 METHODS AND COMPOSITIONS FOR TREATING PULMONARY DISORDERS USING OPTICALLY PURE (R,R)-FORMOTEROL ADRB2, ADRB1, PTGIR KDM4E 4852/4885GAA 3204/4885SMN1; SMN2 2376/4885

“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.