SCHEMBL4555733

SCHEMBL4555733

Cc1cc(C(F)(F)F)cc2c1NC(=O)C2=O

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES1 P23141 9/20 0.59
DAO P14920 2/20 0.49
ALDH1A1 P00352 1/20 0.46
ALDH2 P05091 1/20 0.46
ALDH3A1 P30838 1/20 0.46
TGM2 P21980 1/20 0.44
DNMT1 P26358 1/20 0.44
MOGAT2 Q3SYC2 2/20 0.41
BCHE P06276 2/20 0.39
NOTUM Q6P988 1/20 0.37
NSD2 O96028 1/20 0.37
PARP1 P09874 1/20 0.35
PARP10 Q53GL7 1/20 0.35
TDP2 O95551 1/20 0.35
XPO1 O14980 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL18702831 0.84 CES1 (0.61) CES1DAOALDH1A1ALDH2ALDH3A1
SCHEMBL4555257 0.82 CES1 (0.57) CES1DAOALDH1A1ALDH2ALDH3A1
SCHEMBL4553741 0.81 CES1 (0.41) CES1DAOALDH1A1ALDH2ALDH3A1
SCHEMBL4555585 0.81 CES1 (0.44) CES1DAOALDH1A1ALDH2ALDH3A1
SCHEMBL24095605 0.80 L3MBTL1 (0.43) CES1ALDH1A1ALDH2ALDH3A1TGM2
SCHEMBL3093670 0.78 TGM2 (0.67) CES1DAOALDH1A1ALDH2ALDH3A1
SCHEMBL1743529 0.77 CES1 (0.67) CES1DAOALDH1A1ALDH2ALDH3A1
SCHEMBL29502897 0.77 CES1 (0.67) CES1DAOALDH1A1ALDH2ALDH3A1
SCHEMBL1274994 0.74 CES1 (1.00) CES1DAOALDH1A1ALDH2ALDH3A1
SCHEMBL3737904 0.74 CES1 (0.62) CES1DAOALDH1A1ALDH2ALDH3A1

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-20220227739-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CFTR PROTEOSTASIS THERAPEUTICS INC (US) 2022-07-21 US disclosed
CN-108430994-B Compounds, compositions and methods for modulating CFTR 蛋白质平衡治疗股份有限公司 2022-04-12 CN disclosed
US-11136313-B2 Compounds, compositions, and methods for modulating CFTR PROTEOSTASIS THERAPEUTICS, INC. (US) 2021-10-05 US disclosed
EP-3359536-B1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CFTR PROTEOSTASIS THERAPEUTICS INC (US) 2021-08-04 EP disclosed
US-20200385365-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CFTR PROTEOSTASIS THERAPEUTICS, INC. 2020-12-10 US disclosed
US-10550106-B2 Compounds, compositions, and methods for modulating CFTR PROTEOSTASIS THERAPEUTICS, INC. (US) 2020-02-04 US disclosed
US-20180291006-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CFTR PROTEOSTASIS THERAPEUTICS, INC. 2018-10-11 US disclosed
WO-2017062581-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CFTR PROTEOSTASIS THERAPEUTICS, INC. (US) 2017-04-13 WO disclosed
EP-2134692-A2 QUINOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM FOR SELECTIN INHIBITION Wyeth a Corporation of the State of Delaware (US) 2009-12-23 EP disclosed
US-20080255192-A1 2-(1-(4-chlorophenyl)cyclopropyl)-3-hydroxy-8-(trifluoromethoxy)quinoline-4-carboxylic acid; antiinflammtory agents; antagonists of the mammalian adhesion proteins WYETH (US) 2008-10-16 US disclosed
WO-2008121817-A2 QUINOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM FOR SELECTIN INHIBITION WYETH (US) 2008-10-09 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 (6 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-11136313-B2 Compounds, compositions, and methods for modulating CFTR CFTR, SCNN1B, SCNN1G CES1 913/4885DAO 4519/4885ALDH1A1 3790/4885
US-20200385365-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CFTR CFTR, SCNN1B, SCNN1G CES1 913/4885DAO 4519/4885ALDH1A1 3790/4885
US-20220227739-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CFTR CFTR, SCNN1B, SCNN1G CES1 913/4885DAO 4519/4885ALDH1A1 3790/4885
US-10550106-B2 Compounds, compositions, and methods for modulating CFTR CFTR, SCNN1B, SCNN1G CES1 913/4885DAO 4519/4885ALDH1A1 3790/4885
US-20080255192-A1 2-(1-(4-chlorophenyl)cyclopropyl)-3-hydroxy-8-(trifluoromethoxy)quinoline-4-carboxylic acid; antiinflammtory agents; antagonists of the mammalian adhesion proteins VCAM1, ICAM1, SELE CES1 1128/4885DAO 1268/4885ALDH1A1 346/4885
US-20180291006-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CFTR CFTR, SCNN1B, SCNN1G CES1 913/4885DAO 4519/4885ALDH1A1 3790/4885

“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.