SCHEMBL1634368

SCHEMBL1634368

CCOC(=O)C(=O)CC(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
NPSR1 Q6W5P4 3/20 0.39
GLO1 Q04760 1/20 0.39
LMNA P02545 2/20 0.39
HSD17B10 Q99714 1/20 0.39
FAAH O00519 2/20 0.38
TSHR P16473 1/20 0.38
ALOX15 P16050 1/20 0.37
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
SOAT1 P35610 1/20 0.37
EGLN1 Q9GZT9 1/20 0.36
GPR35 Q9HC97 1/20 0.36
MAPT P10636 3/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
CES2 O00748 1/20 0.35
ACHE P22303 1/20 0.35
CES1 P23141 1/20 0.35

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
SCHEMBL19122395 0.84 ALDH1A1 (0.42) ALDH1A1NPSR1GLO1LMNAHSD17B10
SCHEMBL22213926 0.81 MAPT (0.34) ALDH1A1NPSR1GLO1LMNAHSD17B10
SCHEMBL28620279 0.81 MAPT (0.34) ALDH1A1NPSR1GLO1LMNAHSD17B10
SCHEMBL4574752 0.79 ALDH1A1 (0.42) ALDH1A1NPSR1GLO1LMNAHSD17B10
SCHEMBL4918392 0.78 FAAH (0.43) ALDH1A1NPSR1GLO1LMNAHSD17B10
SCHEMBL9546127 0.78 ALDH1A1 (0.44) ALDH1A1NPSR1GLO1LMNAHSD17B10
SCHEMBL8785380 0.78 NPSR1 (0.42) ALDH1A1NPSR1GLO1LMNAFAAH
SCHEMBL17397711 0.77 CYP2C9 (0.45) ALDH1A1NPSR1GLO1LMNAFAAH
SCHEMBL17397712 0.77 CYP2C9 (0.45) ALDH1A1NPSR1GLO1LMNAFAAH
SCHEMBL25398009 0.76 TET2 (0.38) ALDH1A1TSHREGLN1GPR35MAPT

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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2713736-B1 NOVEL IMMUNE SYSTEM MODULATORS JANUS BIOTHERAPEUTICS INC (US) 2023-08-02 EP disclosed
CN-113912535-A Preparation method of 6-chloro-4-trifluoromethyl-3-cyanopyridine 新发药业有限公司 2022-01-11 CN disclosed
US-10117875-B2 Immune system modulators JANUS BIOTHERAPEUTICS, INC. (US) 2018-11-06 US disclosed
US-20170224699-A1 NOVEL IMMUNE SYSTEM MODULATORS Wilmer Cutler Pickering Hale and Dorr LLP 2017-08-10 US disclosed
US-9637489-B2 Immune system modulators JANUS BIOTHERAPEUTICS, INC. (US) 2017-05-02 US disclosed
US-9359361-B2 Immune system modulators JANUS BIOTHERAPEUTICS, INC. (US) 2016-06-07 US disclosed
CN-103228668-B Antidiabetic enolic glycoside of phenylpyruvic acid ZADEC APS (DK) 2016-04-27 CN disclosed
US-20160074403-A1 NOVEL IMMUNE SYSTEM MODULATORS Wilmer Cutler Pickering Hale and Dorr LLP 2016-03-17 US disclosed
US-9126996-B2 Immune system modulators JANUS BIOTHERAPEUTICS, INC. (US) 2015-09-08 US disclosed
US-20140221646-A1 NOVEL IMMUNE SYSTEM MODULATORS JANUS BIOTHERAPEUTICS, INC. (US) 2014-08-07 US disclosed
US-20040162321-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-08-19 US disclosed
WO-2004063163-A1 1-PROPANOL AND 1-PROPYLAMINE DERIVATIVES AND THEIR USE AS GLUCOCORTICOID LIGANDS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-07-29 WO disclosed
US-20040029932-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-02-12 US disclosed
US-20040023999-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-02-05 US disclosed
US-20040010148-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-01-15 US disclosed
US-20040010020-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-01-15 US disclosed
WO-2003104195-A1 4-(ARYL OR HETEROARYL) -2-BUTYLAMINE DERIVATIVES AND THEIR USE AS GLUCOCORTICOID LIGANS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2003-12-18 WO disclosed
WO-2003101932-A2 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2003-12-11 WO disclosed
WO-2003082787-A1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2003-10-09 WO disclosed
WO-2003082280-A1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2003-10-09 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 (9 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-20040010020-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof NR3C1, NR3C2, MC2R ALDH1A1 2921/4885NPSR1 356/4885GLO1 1665/4885
US-20140221646-A1 NOVEL IMMUNE SYSTEM MODULATORS HLA-DRB1, CD47, MYD88 ALDH1A1 2143/4885NPSR1 874/4885GLO1 3575/4885
US-20040029932-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof NR3C1, NR3C2, MC2R ALDH1A1 2659/4885NPSR1 370/4885GLO1 1180/4885
US-20040023999-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof NR3C1, NR3C2, MC2R ALDH1A1 2659/4885NPSR1 370/4885GLO1 1180/4885
US-20040162321-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof NR3C1, NR3C2, MC2R ALDH1A1 2975/4885NPSR1 316/4885GLO1 1593/4885
US-10117875-B2 Immune system modulators HLA-DRB1, CD47, MYD88 ALDH1A1 1649/4885NPSR1 921/4885GLO1 3328/4885
US-20040010148-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof NR3C1, NR3C2, MC2R ALDH1A1 2749/4885NPSR1 320/4885GLO1 1474/4885
US-20160074403-A1 NOVEL IMMUNE SYSTEM MODULATORS HLA-DRB1, CD47, MYD88 ALDH1A1 2143/4885NPSR1 874/4885GLO1 3575/4885
US-20170224699-A1 NOVEL IMMUNE SYSTEM MODULATORS HLA-DRB1, CD47, MYD88 ALDH1A1 2143/4885NPSR1 874/4885GLO1 3575/4885

“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.