SCHEMBL2950720

SCHEMBL2950720

CC(C)(CCn1ccc2cc(C(=O)O)ccc21)NCC(O)c1cccc(NS(=O)(=O)c2ccccc2)c1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 3/20 0.42
HTR6 P50406 4/20 0.40
PPARG P37231 4/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
PFKFB3 Q16875 1/20 0.38
NTSR1 P30989 1/20 0.38
POLB P06746 1/20 0.38
AKR1C3 P42330 1/20 0.38

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
SCHEMBL2950716 1.00 ADRB3 (0.42) ADRB3HTR6PPARGKEAP1NFE2L2
SCHEMBL2950718 1.00 ADRB3 (0.42) ADRB3HTR6PPARGKEAP1NFE2L2
Trifluoroacetic Acid SCHEMBL2948283 0.96 ADRB3 (0.40) ADRB3HTR6PPARGKEAP1NFE2L2
Trifluoroacetic Acid SCHEMBL2944135 0.96 ADRB3 (0.40) ADRB3HTR6PPARGKEAP1NFE2L2
Dimethylformamide SCHEMBL27739511 0.95 ADRB3 (0.40) ADRB3HTR6PPARGKEAP1NFE2L2
SCHEMBL13240095 0.94 ADRB3 (0.44) ADRB3HTR6NTSR1
SCHEMBL2950135 0.94 ADRB3 (0.42) ADRB3HTR6KEAP1NFE2L2PFKFB3
SCHEMBL2950139 0.94 ADRB3 (0.42) ADRB3HTR6KEAP1NFE2L2PFKFB3
SCHEMBL2950142 0.94 ADRB3 (0.42) ADRB3HTR6KEAP1NFE2L2PFKFB3
SCHEMBL2950628 0.94 ADRB3 (0.38) ADRB3HTR6PPARGKEAP1NFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7754756-B2 Indol-containing beta-agonists, methods for the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-13 US claimed
CN-101296903-A Novel indole-containing beta agonists, method for the production thereof and use thereof as medicaments BOEHRINGER INGELHEIM INT (DE) 2008-10-29 CN claimed
US-20070105906-A1 Indol-containing beta-agonists, methods for the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-10 US claimed
US-7754756-B2 Indol-containing beta-agonists, methods for the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-13 US disclosed
US-7754756-B2 Indol-containing beta-agonists, methods for the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-13 US disclosed
US-7754756-B2 Indol-containing beta-agonists, methods for the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-13 US disclosed
CN-101296903-A Novel indole-containing beta agonists, method for the production thereof and use thereof as medicaments BOEHRINGER INGELHEIM INT (DE) 2008-10-29 CN disclosed
US-20070105906-A1 Indol-containing beta-agonists, methods for the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-10 US disclosed
US-20070105906-A1 Indol-containing beta-agonists, methods for the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-10 US disclosed
US-20070105906-A1 Indol-containing beta-agonists, methods for the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-10 US disclosed
WO-2007048841-A2 NOVEL INDOLE-CONTAINING BETA AGONISTS, METHOD FOR PRODUCING THEM AND THEIR USE AS DRUGS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-03 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 (1 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-20070105906-A1 Indol-containing beta-agonists, methods for the preparation thereof and their use as pharmaceutical compositions ADRB1, ADRB3, ADRB2 ADRB3 2/4885HTR6 172/4885PPARG 662/4885

“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.