SCHEMBL3838340

SCHEMBL3838340

CC(C)Oc1nc2c(OC(C)(C)C)ccc(C(=O)CN(CCc3ccc(OCCCCc4ccccc4)cc3)Cc3ccccc3)c2s1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 5/20 0.36
LTB4R2 Q9NPC1 5/20 0.36
MAOB P27338 5/20 0.35
FFAR1 O14842 1/20 0.35
PPARG P37231 2/20 0.34
PPARA Q07869 2/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HCRTR2 O43614 2/20 0.34
PPARD Q03181 1/20 0.34
S1PR1 P21453 1/20 0.34

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
SCHEMBL27556880 0.86 ALDH1A1 (0.37) LTB4RLTB4R2FFAR1PPARGPPARA
SCHEMBL27668431 0.83 LTB4R (0.32) LTB4RLTB4R2PPARGPPARAALDH1A1
SCHEMBL5709192 0.80 LTB4R (0.33) LTB4RLTB4R2FFAR1PPARGPPARA
SCHEMBL3837954 0.70 FFAR1 (0.51) LTB4RLTB4R2FFAR1PPARGS1PR1
SCHEMBL3836095 0.70 ADRB2 (0.43) MAOBFFAR1
SCHEMBL3837914 0.70 L3MBTL1 (0.39) ALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL5630237 0.69 FFAR1 (0.41) LTB4RLTB4R2FFAR1PPARGPPARA
SCHEMBL3839010 0.69 FFAR1 (0.63) LTB4RLTB4R2FFAR1PPARGPPARA
SCHEMBL6104143 0.67 LTB4R (0.57) LTB4RLTB4R2FFAR1CYP2D6S1PR1
SCHEMBL3838043 0.65 LTB4R (0.54) LTB4RLTB4R2FFAR1CYP2D6S1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150065490-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2015-03-05 US disclosed
EP-1529038-B1 BENZOTHIAZOLE DERIVATIVES HAVING BETA-2-ADRENORECEPTOR AGONIST ACTIVITY NOVARTIS AG (CH) 2009-10-07 EP disclosed
US-20070249586-A1 Benzothiazole derivatives having beta-2-adrenoreceptor agonist activity CUENOUD BERNARD 2007-10-25 US disclosed
EP-1715860-A1 COMBINATION OF BENZOTHIAZOL-2-ONE BETA2 ADRENOCEPTOR AGONISTS AND CORTICOSTEROIDS FOR THE TREATMENT OF RESPIRATORY DISEASES Novartis AG (CH) 2006-11-02 EP disclosed
US-20060106075-A1 Benzothiazole derivatives having beta-2-adrenoreceptor agonist activity NOVARTIS AG (CH) 2006-05-18 US disclosed
WO-2005074924-A1 COMBINATION OF BENZOTHIAZOL-2-ONE BETA2 ADRENOCEPTOR AGONISTS AND CORTICOSTEROIDS FOR THE TREATMENT OF RESPIRATORY DISEASES NOVARTIS AG (CH) 2005-08-18 WO disclosed
EP-1529038-A1 BENZOTHIAZOLE DERIVATIVES HAVING BETA-2-ADRENORECEPTOR AGONIST ACTIVITY Novartis AG (CH) 2005-05-11 EP disclosed
WO-2004016601-A1 BENZOTHIAZOLE DERIVATIVES HAVING BETA-2-ADRENORECEPTOR AGONIST ACTIVITY NOVARTIS AG (CH) 2004-02-26 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 (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-20070249586-A1 Benzothiazole derivatives having beta-2-adrenoreceptor agonist activity ADRB2, ADRB1, ADRA2C LTB4R 260/4885LTB4R2 96/4885MAOB 902/4885
US-20060106075-A1 Benzothiazole derivatives having beta-2-adrenoreceptor agonist activity ADRB2, ADRB1, ADRA2C LTB4R 260/4885LTB4R2 96/4885MAOB 902/4885
US-20150065490-A1 ORGANIC COMPOUNDS ADRB2, ADRA2C, ADRB1 LTB4R 276/4885LTB4R2 104/4885MAOB 227/4885

“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.