SCHEMBL2869059

SCHEMBL2869059

CC(=O)Oc1cccc(C[C@H](OC(C)C)C(=O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARG P37231 13/20 0.46
PPARA Q07869 13/20 0.46
CYP3A4 P08684 1/20 0.45
LMNA P02545 1/20 0.45
ACHE P22303 3/20 0.42
PPARD Q03181 3/20 0.41
PARP1 P09874 1/20 0.41
SRR Q9GZT4 1/20 0.41

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
SCHEMBL2862902 0.86 PPARG (0.44) PPARGPPARAACHEPPARD
SCHEMBL4345882 0.83 PPARG (0.51) PPARGPPARAPPARD
SCHEMBL4334205 0.82 PPARG (0.55) PPARGPPARAPPARD
SCHEMBL1787452 0.81 CYP3A4 (0.54) CYP3A4LMNAACHEPARP1
SCHEMBL6655346 0.81 PPARG (0.51) PPARGPPARA
SCHEMBL4348224 0.80 GRIA2 (0.48) PPARGPPARAPPARDSRR
SCHEMBL2866290 0.80 GRIA2 (0.48) PPARGPPARAPPARDSRR
SCHEMBL3156480 0.80 SLC7A5 (0.59) CYP3A4LMNA
SCHEMBL694664 0.80 TAAR1 (0.63) CYP3A4LMNAACHEPARP1
SCHEMBL694663 0.80 TAAR1 (0.63) CYP3A4LMNAACHEPARP1

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 4 patents. 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-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

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-20090069591-A1 Calcium Bis [ (2S) -3- [3-[ (2S) -3- (4-Chloro-2-Cyanophenoxy) -2- Fluoropropoxy]Phenyl] -2- Isopropoxypropionate] and Intermediate Thereof CA2, CACNA1A, CACNA1C PPARG 3388/4885PPARA 3168/4885CYP3A4 316/4885
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 PPARG 3388/4885PPARA 3168/4885CYP3A4 316/4885

“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.