SCHEMBL17079182

SCHEMBL17079182

O=C(O)CCNC(=O)c1cc(-c2ccccc2)on1

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 4/20 0.73
FAAH O00519 3/20 0.70
HDAC3 O15379 1/20 0.69
HDAC1 Q13547 1/20 0.69
HDAC2 Q92769 1/20 0.69
HDAC10 Q969S8 1/20 0.69
HDAC8 Q9BY41 1/20 0.69
HDAC6 Q9UBN7 1/20 0.69
KMT2A Q03164 4/20 0.62
LMNA P02545 3/20 0.62
RAB9A P51151 6/20 0.62
SMN1; SMN2 Q16637 5/20 0.62
NPC1 O15118 4/20 0.62
MAPK1 P28482 1/20 0.62
HTT P42858 2/20 0.60
MAPT P10636 1/20 0.59
POLB P06746 1/20 0.59
ALDH1A1 P00352 1/20 0.58
TP53 P04637 1/20 0.58

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
SCHEMBL17652547 0.91 HIF1A (0.81) HIF1AFAAHHDAC3HDAC1HDAC2
SCHEMBL17652557 0.88 HDAC6 (0.74) HIF1AFAAHHDAC3HDAC1HDAC2
SCHEMBL17510986 0.87 HIF1A (0.75) HIF1AFAAHHDAC3HDAC1HDAC2
SCHEMBL68906 0.87 HIF1A (0.70) HIF1AFAAHHDAC3HDAC1HDAC2
SCHEMBL17652545 0.87 HIF1A (0.67) HIF1AFAAHHDAC3HDAC1HDAC2
SCHEMBL17087759 0.87 HIF1A (0.67) HIF1AFAAHHDAC3HDAC1HDAC2
SCHEMBL26079027 0.87 HIF1A (0.67) HIF1AFAAHHDAC3HDAC1HDAC2
SCHEMBL12349834 0.86 TP53 (0.78) HIF1AFAAHHDAC3HDAC1HDAC2
SCHEMBL17511094 0.86 HIF1A (0.73) HIF1AFAAHHDAC3HDAC1HDAC2
Hydrochloric Acid SCHEMBL17079188 0.85 HDAC3 (0.65) HIF1AFAAHHDAC3HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9855249-B2 Isoxazole compounds and methods for the treatment of cystic fibrosis FLATLEY DISCOVERY LAB, LLC (US) 2018-01-02 US disclosed
US-9855249-B2 Isoxazole compounds and methods for the treatment of cystic fibrosis FLATLEY DISCOVERY LAB, LLC (US) 2018-01-02 US disclosed
US-9790219-B2 Compounds, compositions, and methods for increasing CFTR activity PROTEOSTASIS THERAPEUTICS, INC. (US) 2017-10-17 US disclosed
US-9790219-B2 Compounds, compositions, and methods for increasing CFTR activity PROTEOSTASIS THERAPEUTICS, INC. (US) 2017-10-17 US disclosed
US-9790219-B2 Compounds, compositions, and methods for increasing CFTR activity PROTEOSTASIS THERAPEUTICS, INC. (US) 2017-10-17 US disclosed
EP-3116501-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR INCREASING CFTR ACTIVITY Proteostasis Therapeutics, Inc. (US) 2017-01-18 EP disclosed
US-20170001993-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR INCREASING CFTR ACTIVITY PROTEOSTASIS THERAPEUTICS, INC. 2017-01-05 US disclosed
US-20170001993-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR INCREASING CFTR ACTIVITY PROTEOSTASIS THERAPEUTICS, INC. 2017-01-05 US disclosed
US-20170001993-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR INCREASING CFTR ACTIVITY PROTEOSTASIS THERAPEUTICS, INC. 2017-01-05 US disclosed
US-20160128984-A1 ISOXAZOLE COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS FLATLEY DISCOVERY LAB, LLC 2016-05-12 US disclosed
US-20160128984-A1 ISOXAZOLE COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS FLATLEY DISCOVERY LAB, LLC 2016-05-12 US disclosed
US-20160128984-A1 ISOXAZOLE COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS FLATLEY DISCOVERY LAB, LLC 2016-05-12 US disclosed
WO-2016054560-A1 ISOXAZOLE COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS FLATLEY DISCOVERY LAB (US) 2016-04-07 WO disclosed
WO-2016054560-A1 ISOXAZOLE COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS FLATLEY DISCOVERY LAB (US) 2016-04-07 WO disclosed
WO-2015138909-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR INCREASING CFTR ACTIVITY PROTEOSTASIS THERAPEUTICS, INC. (US) 2015-09-17 WO disclosed
WO-2015138909-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR INCREASING CFTR ACTIVITY PROTEOSTASIS THERAPEUTICS, INC. (US) 2015-09-17 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 (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-20170001993-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR INCREASING CFTR ACTIVITY CFTR, ABCB4, KEAP1 HIF1A 2336/4885FAAH 1749/4885HDAC3 1519/4885
US-20160128984-A1 ISOXAZOLE COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, SERPINB1, ELANE HIF1A 869/4885FAAH 2514/4885HDAC3 823/4885

“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.