Sugi Predict

Sugi Predict / Compounds / SCHEMBL4918960

SCHEMBL4918960

SCHEMBL4918960

CC(C)(CCn1cnc2ccc(C(=O)O)cc21)NC[C@H](OC(=O)C(F)(F)F)c1cccc(NS(=O)(=O)c2ccccc2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 1/20 0.38
▸ HPGD P15428 2/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ NR1I2 O75469 2/20 0.36
▸ KEAP1 Q14145 2/20 0.36
▸ NFE2L2 Q16236 2/20 0.36
▸ OPRM1 P35372 1/20 0.35
▸ OPRD1 P41143 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ HTR6 P50406 1/20 0.35
▸ MAPT P10636 3/20 0.34
▸ POLB P06746 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ CYP24A1 Q07973 1/20 0.34
▸ PFKFB3 Q16875 1/20 0.34
▸ F2 P00734 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
SCHEMBL4908161 0.94 NR1I2 (0.41) ADRB3HPGDMEN1KMT2ANR1I2
SCHEMBL4645777 0.90 ADRB3 (0.40) ADRB3HPGDKMT2ANR1I2OPRM1
SCHEMBL4605628 0.90 ADRB3 (0.42) ADRB3HPGDMEN1KMT2ANR1I2
SCHEMBL4892535 0.90 ADRB3 (0.38) ADRB3HPGDMEN1KMT2ANR1I2
SCHEMBL4605863 0.90 NR1I2 (0.40) ADRB3HPGDKMT2ANR1I2OPRM1
Trifluoroacetic Acid SCHEMBL4645770 0.89 ADRB3 (0.42) ADRB3HPGDNR1I2KEAP1NFE2L2
SCHEMBL4895290 0.88 HPGD (0.38) ADRB3HPGDMEN1KMT2ANR1I2
SCHEMBL4915362 0.88 ADRB3 (0.43) ADRB3HPGDNR1I2KEAP1NFE2L2
SCHEMBL4915375 0.88 ADRB3 (0.43) ADRB3HPGDNR1I2KEAP1NFE2L2
SCHEMBL4918863 0.87 KEAP1 (0.38) ADRB3HPGDMEN1KMT2ANR1I2

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 2 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

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 2/4885HPGD 1119/4885MEN1 2066/4885
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 1/4885HPGD 2957/4885MEN1 3974/4885

“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.