SCHEMBL5217201

SCHEMBL5217201

COP(=O)(CC(=O)c1ccc(C(F)(F)F)o1)OC

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
UTRN P46939 1/20 0.35
GRM8 O00222 1/20 0.34
GRM4 Q14833 1/20 0.34
FAAH O00519 3/20 0.33
LMNA P02545 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HDAC4 P56524 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
POLB P06746 1/20 0.33
MITF O75030 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
PTPN1 P18031 1/20 0.32
KDM4E B2RXH2 2/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
MAPT P10636 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
CES1 P23141 1/20 0.30

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
SCHEMBL27608374 0.80 UTRN (0.34) UTRNGRM8GRM4FAAHLMNA
SCHEMBL5732992 0.77 ALDH1A1 (0.48) LMNASMN1; SMN2POLBHTTMAPT
SCHEMBL28757856 0.77 GRM8 (0.34) UTRNGRM8GRM4FAAHLMNA
SCHEMBL3564478 0.71 PTPN1 (0.53) LMNAPOLBPTPN1KDM4EHTT
SCHEMBL13078563 0.70 ALDH1A1 (0.44) GRM8GRM4FAAHLMNASMN1; SMN2
SCHEMBL353259 0.69 MITF (0.41) LMNASMN1; SMN2HDAC4HDAC6POLB
SCHEMBL15498627 0.69 CES2 (0.50) LMNASMN1; SMN2POLBPTPN1MAPK1
SCHEMBL1434936 0.68 TDP1 (0.45) LMNASMN1; SMN2POLBMAPK1HTT
SCHEMBL9228714 0.67 FFAR1 (0.44)
SCHEMBL5734467 0.67 NPSR1 (0.54) LMNAPOLBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1408961-B1 2 PYRROLIDONE DERIVATIVES AS PROSTANOID AGONISTS HOFFMANN LA ROCHE (CH) 2007-07-11 EP disclosed
EP-1409455-B1 PROSTAGLANDIN ANALOGUES-AS EP4 RECEPTOR AGONISTS HOFFMANN LA ROCHE (CH) 2006-01-04 EP disclosed
US-6900336-B2 8-aza-11-deoxy prostaglandin analogues SYNTEX (U.S.A.) LLC (US) 2005-05-31 US disclosed
US-6849657-B2 2-pyrrolidone derivatives as prostanoid agonists SYNTEX (U.S.A.) LLC (US) 2005-02-01 US disclosed
EP-1408961-A1 2 PYRROLIDONE DERIVATIVES AS PROSTANOID AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-04-21 EP disclosed
EP-1409455-A1 PROSTAGLANDIN ANALOGUES-AS EP4 RECEPTOR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-04-21 EP disclosed
US-20030120079-A1 Such as 7-((R)-2-((E)-3-(3-Benzyl-phenyl)-3-hydroxy-propenyl)-5-oxo-pyrrolidin-1-yl)-heptanoic acid; side effects reduction SYNTEX (U.S.A.) LLC 2003-06-26 US disclosed
US-20030064964-A1 2-pyrrolidone derivatives as prostanoid agonists ONO PHARMACEUTICAL CO., LTD. (JP) 2003-04-03 US disclosed
WO-2003008377-A1 PROSTAGLANDIN ANALOGUES_AS EP4 RECEPTOR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2003-01-30 WO disclosed
WO-2003007941-A1 2 PYRROLIDONE DERIVATIVES AS PROSTANOID AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2003-01-30 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 (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-20030064964-A1 2-pyrrolidone derivatives as prostanoid agonists PTGER1, PTGER4, PTGIR UTRN 3391/4885GRM8 1250/4885GRM4 770/4885
US-20030120079-A1 Such as 7-((R)-2-((E)-3-(3-Benzyl-phenyl)-3-hydroxy-propenyl)-5-oxo-pyrrolidin-1-yl)-heptanoic acid; side effects reduction PTGER4, FFAR4, PTGER1 UTRN 3220/4885GRM8 664/4885GRM4 203/4885

“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.