SCHEMBL17079183

SCHEMBL17079183

CCOC(=O)C(=O)NNC(=O)CCNC(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 2/20 0.43
CA1 P00915 5/20 0.42
CA2 P00918 5/20 0.42
CA12 O43570 2/20 0.42
CA9 Q16790 2/20 0.42
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
EPHX1 P07099 1/20 0.39
KDM4E B2RXH2 3/20 0.38
POLB P06746 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
CTSK P43235 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
IDO1 P14902 1/20 0.37
HTT P42858 1/20 0.36

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
SCHEMBL2237135 0.85 MEN1 (0.44) TDP1MEN1KMT2AGAACA1
SCHEMBL3956281 0.82 TDP1 (0.49) TDP1MEN1KMT2AGAACA1
SCHEMBL21728958 0.79 TDP1 (0.63) TDP1MEN1KMT2AGAACA1
SCHEMBL1785910 0.79 TDP1 (0.49) TDP1MEN1KMT2AGAACA1
SCHEMBL15728746 0.78 CTSK (0.50) TDP1MEN1KMT2AGAACA1
SCHEMBL25827367 0.78 GAA (0.58) TDP1MEN1KMT2AGAACA1
SCHEMBL8025174 0.78 TDP1 (0.45) TDP1MEN1KMT2AGAACA1
SCHEMBL1784924 0.77 CTSK (0.51) TDP1MEN1KMT2AGAACA1
SCHEMBL156233 0.76 TDP1 (0.46) TDP1MEN1KMT2AGAACA1
SCHEMBL15775938 0.76 KDM4E (0.40) TDP1MEN1KMT2AGAACA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10392378-B2 Derivatives of 5-phenyl- or 5-heteroarylathiazol-2-carboxylic amide useful for the treatment of inter alia cystic fibrosis PROTEOSTASIS THERAPEUTICS, INC. (US) 2019-08-27 US disclosed
US-20170369482-A1 DERIVATIVES OF 5-PHENYL- OR 5-HETEROARYLATHIAZOL-2-CARBOXYLIC AMIDE USEFUL FOR THE TREATMENT OF INTER ALIA CYSTIC FIBROSIS PROTEOSTASIS THERAPEUTICS, INC. 2017-12-28 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
WO-2016105477-A1 DERIVATIVES OF 5-PHENYL- OR 5-HETEROARYLTHIAZOL-2-CARBOXYLIC AMIDE USEFUL FOR THE TREATMENT OF INTER ALIA CYSTIC FIBROSIS PROTEOSTASIS THERAPEUTICS, INC (US) 2016-06-30 WO disclosed
WO-2016105477-A1 DERIVATIVES OF 5-PHENYL- OR 5-HETEROARYLTHIAZOL-2-CARBOXYLIC AMIDE USEFUL FOR THE TREATMENT OF INTER ALIA CYSTIC FIBROSIS PROTEOSTASIS THERAPEUTICS, INC (US) 2016-06-30 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 (3 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-10392378-B2 Derivatives of 5-phenyl- or 5-heteroarylathiazol-2-carboxylic amide useful for the treatment of inter alia cystic fibrosis CFTR, ABCC5, ABCB1 TDP1 3575/4885MEN1 4884/4885KMT2A 3408/4885
US-20170369482-A1 DERIVATIVES OF 5-PHENYL- OR 5-HETEROARYLATHIAZOL-2-CARBOXYLIC AMIDE USEFUL FOR THE TREATMENT OF INTER ALIA CYSTIC FIBROSIS CFTR, ABCC5, ABCB1 TDP1 3575/4885MEN1 4884/4885KMT2A 3408/4885
US-20170001993-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR INCREASING CFTR ACTIVITY CFTR, ABCB4, KEAP1 TDP1 2671/4885MEN1 3688/4885KMT2A 4772/4885

“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.