SCHEMBL2869150

SCHEMBL2869150

CC(C)OCC(=O)N1C(=O)OC[C@@H]1Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.44
NAAA Q02083 3/20 0.44
IDH1 O75874 8/20 0.42
IL6ST P40189 1/20 0.42
FAAH O00519 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CSNK2B P67870 1/20 0.38
CSNK2A1 P68400 1/20 0.38
PPARG P37231 1/20 0.37

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
SCHEMBL15684256 1.00 PPARA (0.44) PPARANAAAIDH1IL6STFAAH
SCHEMBL4327486 1.00 PPARA (0.44) PPARANAAAIDH1IL6STFAAH
SCHEMBL6600116 0.88 IL6ST (0.41) PPARANAAAIDH1IL6STFAAH
SCHEMBL5761604 0.88 IL6ST (0.41) PPARANAAAIDH1IL6STFAAH
SCHEMBL1750168 0.86 ALDH1A1 (0.55) PPARANAAAIDH1IL6STFAAH
SCHEMBL6454677 0.86 NAAA (0.46) PPARANAAAIDH1IL6STFAAH
SCHEMBL5022256 0.86 NAAA (0.46) PPARANAAAIDH1IL6STFAAH
SCHEMBL1750169 0.86 ALDH1A1 (0.55) PPARANAAAIDH1IL6STFAAH
SCHEMBL3308447 0.84 GRM5 (0.46) NAAAIDH1FAAHALDH1A1
SCHEMBL3308451 0.84 GRM5 (0.46) NAAAIDH1FAAHALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7816405-B2 Calcium bis [(2S)-3-[3-[(2S)-3-(4-chloro-2-cyanophenoxy)-2-fluoropropoxy]phenyl ]-2-isopropoxypropionate] and intermediate thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-10-19 US disclosed
US-7816405-B2 Calcium bis [(2S)-3-[3-[(2S)-3-(4-chloro-2-cyanophenoxy)-2-fluoropropoxy]phenyl ]-2-isopropoxypropionate] and intermediate thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-10-19 US disclosed
US-7816405-B2 Calcium bis [(2S)-3-[3-[(2S)-3-(4-chloro-2-cyanophenoxy)-2-fluoropropoxy]phenyl ]-2-isopropoxypropionate] and intermediate thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-10-19 US disclosed
US-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed
US-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed
US-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed
US-20090069591-A1 Calcium Bis [ (2S) -3- [3-[ (2S) -3- (4-Chloro-2-Cyanophenoxy) -2- Fluoropropoxy]Phenyl] -2- Isopropoxypropionate] and Intermediate Thereof EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-03-12 US disclosed
US-20090069591-A1 Calcium Bis [ (2S) -3- [3-[ (2S) -3- (4-Chloro-2-Cyanophenoxy) -2- Fluoropropoxy]Phenyl] -2- Isopropoxypropionate] and Intermediate Thereof EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-03-12 US disclosed
US-20090069591-A1 Calcium Bis [ (2S) -3- [3-[ (2S) -3- (4-Chloro-2-Cyanophenoxy) -2- Fluoropropoxy]Phenyl] -2- Isopropoxypropionate] and Intermediate Thereof EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-03-12 US disclosed
EP-1873141-A1 CALCIUM BIS[2S)-3-[3-(2S)-3-(4-CHLORO-2-CYANOPHENOXY)-2- FLUOROPROPOXY¨PHENYL]-2-ISOPROPOXYPROPIONATE] AND INTERMEDIATE THEREOF Eisai R&D Management Co., Ltd. (JP) 2008-01-02 EP disclosed
US-20070117866-A1 Calcium bis [ (2S) - 3- [3-[ (2S) -3- (4-chloro-2-cyanophenoxy) -2- fluoropropoxy]phenyl ]-2-isopropoxypropionate] and intermediate thereof EISAI CO., LTD. (JP) 2007-05-24 US disclosed
US-7109225-B2 Antidiabetic agents; hypotensive agents; anticholesterol agents; antilipemic agents; antiinflammatory agents; antiproliferative agents HOFMANN-LA ROCHE INC. (US) 2006-09-19 US disclosed
EP-1392295-B1 CARBOXYLIC ACID SUBSTITUTED OXAZOLE DERIVATIVES FOR USE AS PPAR-ALPHA AND -GAMMA ACTIVATORS IN THE TREATMENT OF DIABETES HOFFMANN LA ROCHE (CH) 2006-05-31 EP disclosed
US-20040157898-A1 Novel substituted oxazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 2004-08-12 US disclosed
US-20040102634-A1 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-05-27 US disclosed
EP-1392295-A1 CARBOXYLIC ACID SUBSTITUTED OXAZOLE DERIVATIVES FOR USE AS PPAR-ALPHA AND -GAMMA ACTIVATORS IN THE TREATMENT OF DIABETES F. Hoffmann-La Roche AG (CH) 2004-03-03 EP disclosed
EP-1380562-A1 CARBOXYLIC ACID DERIVATIVE AND SALT THEREOF Eisai Co., Ltd. (JP) 2004-01-14 EP disclosed
US-6642389-B2 For therapy of diabetes HOFFMANN-LA ROCHE INC. 2003-11-04 US disclosed
US-20030055265-A1 Oxazole derivatives HOFFMANN-LA ROCHE INC. 2003-03-20 US disclosed
WO-2002092084-A1 CARBOXYLIC ACID SUBSTITUTED OXAZOLE DERIVATIVES FOR USE AS PPAR-ALPHA AND -GAMMA ACTIVATORS IN THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2002-11-21 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 (5 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-20040102634-A1 Carboxylic acid derivative and salt thereof GPR119, IRS1, SLC5A1 PPARA 339/4885NAAA 3045/4885IDH1 370/4885
US-20090069591-A1 Calcium Bis [ (2S) -3- [3-[ (2S) -3- (4-Chloro-2-Cyanophenoxy) -2- Fluoropropoxy]Phenyl] -2- Isopropoxypropionate] and Intermediate Thereof CA2, CACNA1A, CACNA1C PPARA 3168/4885NAAA 2281/4885IDH1 248/4885
US-20040157898-A1 Novel substituted oxazole derivatives OXA1L, SLC5A1, GPR119 PPARA 497/4885NAAA 3833/4885IDH1 599/4885
US-20070117866-A1 Calcium bis [ (2S) - 3- [3-[ (2S) -3- (4-chloro-2-cyanophenoxy) -2- fluoropropoxy]phenyl ]-2-isopropoxypropionate] and intermediate thereof CA2, CACNA1A, CACNA1C PPARA 3168/4885NAAA 2281/4885IDH1 248/4885
US-20030055265-A1 Oxazole derivatives PPARD, PPARA, PPARG PPARA 2/4885NAAA 3349/4885IDH1 1616/4885

“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.