SCHEMBL4914673

SCHEMBL4914673

CC(C)(CCn1cnc2ccc(C(=O)O)c(Cl)c21)NCC(O)c1ccccc1NS(=O)(=O)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 3/20 0.34
CCR1 P32246 1/20 0.34
BRAF P15056 1/20 0.34
MCL1 Q07820 4/20 0.33
METAP2 P50579 3/20 0.33
NR1I2 O75469 1/20 0.33
ACLY P53396 1/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 2/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL4914688 0.88 YTHDC1 (0.36) CCR2CCR1MCL1METAP2NR1I2
SCHEMBL4914827 0.86 NR1I2 (0.37) CCR2METAP2NR1I2KMT2AMEN1
SCHEMBL4912575 0.86 NR1I2 (0.37) CCR2METAP2NR1I2KMT2AMEN1
SCHEMBL4917477 0.85 ADRB3 (0.42) NR1I2
SCHEMBL4639638 0.85 ADRB3 (0.42) NR1I2
SCHEMBL4644258 0.85 ADRB3 (0.42) NR1I2
SCHEMBL4887240 0.84 MMP2 (0.40) NR1I2KMT2AMEN1ALDH1A1
SCHEMBL4916132 0.84 HPGD (0.36) MCL1METAP2NR1I2KMT2AMEN1
SCHEMBL4915383 0.83 FGFR1 (0.36) NR1I2KMT2AMEN1LMNATSHR
Trifluoroacetic Acid SCHEMBL4916276 0.82 ADRB3 (0.41) NR1I2

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 4 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 claimed
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 claimed
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 CCR2 2775/4885CCR1 1324/4885BRAF 2999/4885
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 CCR2 1602/4885CCR1 1364/4885BRAF 2625/4885

“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.