SCHEMBL3382837

SCHEMBL3382837

NCC(C(=O)O)c1c(F)cccc1F

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.44
CES1 P23141 3/20 0.44
ITGB2 P05107 2/20 0.41
ICAM1 P05362 2/20 0.41
ITGAL P20701 2/20 0.41
CPN1 P15169 1/20 0.39
CPB2 Q96IY4 1/20 0.39
ALB P02768 1/20 0.38
GBA1 P04062 1/20 0.38
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
BCHE P06276 1/20 0.36
GABBR2 O75899 1/20 0.36
GABBR1 Q9UBS5 1/20 0.36
TTR P02766 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SLC1A1 P43005 2/20 0.36

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
SCHEMBL21632310 0.84 PTGFR (0.45) PPARGPPARATDP1
SCHEMBL15165873 0.82 AKR1C3 (0.45) CES2CES1ITGB2ICAM1ITGAL
SCHEMBL3385715 0.81 ROCK2 (0.49) CES2CES1PPARGPPARAGABBR2
SCHEMBL20535193 0.79 TAS1R3 (0.42) CES2CES1PPARGPPARATDP1
SCHEMBL22862585 0.75 CES2 (0.47) CES2CES1ITGB2ICAM1ITGAL
SCHEMBL2864430 0.74 ROCK2 (0.49) CES2CES1CPN1CPB2SLC1A1
SCHEMBL4987994 0.74 CES2 (0.37) CES2CES1ITGB2ICAM1ITGAL
SCHEMBL5250437 0.74 CES2 (0.50) CES2CES1ITGB2ICAM1ITGAL
SCHEMBL21632380 0.73 GABBR2 (0.42) CES2CES1GABBR2GABBR1ALDH1A1
SCHEMBL649606 0.73 AKR1C3 (0.41) CES2CES1ITGB2ICAM1ITGAL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8415480-B2 Thiazolidine carboxamide derivatives as modulators of the prostaglandin F receptor MERCK SERONO SA (CH) 2013-04-09 US disclosed
EP-1487442-B1 THIAZOLIDINE CARBOXAMIDE DERIVATIVES AS MODULATORS OF THE PROSTAGLANDIN F RECEPTOR MERCK SERONO SA (CH) 2010-12-01 EP disclosed
US-20090215749-A9 THIAZOLIDINE CARBOXAMIDE DERIVATIVES AS MODULATORS OF THE PROSTAGLANDIN F RECEPTOR LABORATOIRES SERONO S.A. (CH) 2009-08-27 US disclosed
US-20080255094-A1 THIAZOLIDINE CARBOXAMIDE DERIVATIVES AS MODULATORS OF THE PROSTAGLANDIN F RECEPTOR LABORATOIRES SERONO S.A. (CH) 2008-10-16 US disclosed
US-20050215605-A1 Thiazolidine carboxamide derivatives as modulators of the prostaglandin f receptor MERCK SERONO SA (CH) 2005-09-29 US disclosed
EP-1487442-A1 THIAZOLIDINE CARBOXAMIDE DERIVATIVES AS MODULATORS OF THE PROSTAGLANDIN F RECEPTOR Applied Research Systems ARS Holding N.V. (AN) 2004-12-22 EP disclosed
WO-2003082278-A1 THIAZOLIDINE CARBOXAMIDE DERIVATIVES AS MODULATORS OF THE PROSTAGLANDIN F RECEPTOR APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 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 (3 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-20090215749-A9 THIAZOLIDINE CARBOXAMIDE DERIVATIVES AS MODULATORS OF THE PROSTAGLANDIN F RECEPTOR PTGER4, PTGER2, PTGER1 CES2 1951/4885CES1 1456/4885ITGB2 2096/4885
US-20080255094-A1 THIAZOLIDINE CARBOXAMIDE DERIVATIVES AS MODULATORS OF THE PROSTAGLANDIN F RECEPTOR PTGER4, PTGER2, PTGER1 CES2 1951/4885CES1 1456/4885ITGB2 2096/4885
US-20050215605-A1 Thiazolidine carboxamide derivatives as modulators of the prostaglandin f receptor TBXA2R, CNR2, PTGDR CES2 1938/4885CES1 1594/4885ITGB2 1767/4885

“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.