Sugi Predict

Sugi Predict / Compounds / SCHEMBL5468010

SCHEMBL5468010

SCHEMBL5468010

CCOC(=O)c1ccc2ncn(CCC(C)(C)NC[C@H](O)c3cccc(NS(=O)(=O)c4ccccc4)c3)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 4/20 0.43
▸ LMNA P02545 3/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ DDX3X O00571 1/20 0.39
▸ GPR119 Q8TDV5 1/20 0.39
▸ MAPT P10636 2/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ OPRM1 P35372 1/20 0.37
▸ OPRD1 P41143 1/20 0.37

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
SCHEMBL4913365 1.00 ADRB3 (0.43) ADRB3LMNASMN1; SMN2DDX3XGPR119
SCHEMBL2199546 0.94 ADRB3 (0.43) ADRB3LMNASMN1; SMN2DDX3XGPR119
SCHEMBL4916377 0.94 ADRB3 (0.43) ADRB3LMNASMN1; SMN2DDX3XGPR119
SCHEMBL4915362 0.91 ADRB3 (0.43) ADRB3HPGDADRB2ADRB1
SCHEMBL4915375 0.91 ADRB3 (0.43) ADRB3HPGDADRB2ADRB1
SCHEMBL4918967 0.90 ADRB3 (0.42) ADRB3HPGDOPRM1OPRD1ADRB2
SCHEMBL4894075 0.90 ADRB3 (0.43) ADRB3LMNASMN1; SMN2ALDH1A1NPSR1
SCHEMBL4645453 0.89 ADRB3 (0.45) ADRB3LMNAMAPTALDH1A1NPSR1
SCHEMBL4640763 0.89 ADRB3 (0.45) ADRB3LMNAMAPTALDH1A1NPSR1
SCHEMBL4647480 0.88 ADRB3 (0.45) ADRB3ALDH1A1MEN1KMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080103138-A1 Beta-agonists, methods for the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-05-01 — — US disclosed
US-20070112033-A1 N-(3-{2-[3-(6-amino-benzimidazol-1-yl)-1,1-dimethyl-propylamino]-1-hydroxy-ethyl}-phenyl)-benzenesulphonamide; beta(3)-Adrenoceptor agonists; antidiabetic, obesity, insulin resistance BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-17 — — US disclosed
US-20070112033-A1 N-(3-{2-[3-(6-amino-benzimidazol-1-yl)-1,1-dimethyl-propylamino]-1-hydroxy-ethyl}-phenyl)-benzenesulphonamide; beta(3)-Adrenoceptor agonists; antidiabetic, obesity, insulin resistance BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-17 — — 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-20080103138-A1 Beta-agonists, methods for the preparation thereof and their use as pharmaceutical compositions ADRB1, ADRB3, ADRB2 ADRB3 2/4885LMNA 880/4885SMN1; SMN2 2590/4885
US-20070112033-A1 N-(3-{2-[3-(6-amino-benzimidazol-1-yl)-1,1-dimethyl-propylamino]-1-hydroxy-ethyl}-phenyl)-benzenesulphonamide; beta(3)-Adrenoceptor agonists; antidiabetic, obesity, insulin resistance ADRB3, ADRB1, ADRA1B ADRB3 1/4885LMNA 1223/4885SMN1; SMN2 2337/4885

“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.