SCHEMBL5250437

SCHEMBL5250437

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

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CES2 O00748 5/20 0.50
CES1 P23141 5/20 0.50
SRC P12931 1/20 0.46
ALB P02768 1/20 0.43
BCHE P06276 1/20 0.41
TTR P02766 1/20 0.41
ITGB2 P05107 1/20 0.39
ICAM1 P05362 1/20 0.39
ITGAL P20701 1/20 0.39
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 2/20 0.37
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALOX15 P16050 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
SCHEMBL7683035 0.87 CES2 (0.44) CES2CES1SRCALBBCHE
SCHEMBL5255790 0.86 CES2 (0.43) CES2CES1SRCITGB2ICAM1
SCHEMBL6873558 0.86 CES2 (0.43) CES2CES1SRCALBBCHE
SCHEMBL4076713 0.80 GPR35 (0.44) CES2CES1TTRKMT2AALDH1A1
SCHEMBL4076707 0.80 GPR35 (0.44) CES2CES1TTRKMT2AALDH1A1
SCHEMBL7492198 0.79 CES2 (0.41) CES2CES1SRCBCHEALDH1A1
SCHEMBL1669003 0.79 CES2 (0.64) CES2CES1ALBBCHETTR
SCHEMBL1669004 0.79 CES2 (0.64) CES2CES1ALBBCHETTR
SCHEMBL30428173 0.79 CES2 (0.48) CES2CES1ALBBCHETTR
SCHEMBL22862585 0.77 CES2 (0.47) CES2CES1ALBBCHETTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1431299-B1 IMIDAZO(1,2-a)PYRIMIDINES AND FUNGICIDE COMPOSITIONS CONTAINING THE SAME SUMITOMO CHEMICAL CO (JP) 2007-05-23 EP disclosed
US-7211545-B2 Imidazo[1,2-a]pyrimidine and fungicidal compositions containing thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-05-01 US disclosed
US-20040235865-A1 Imidazo[1,2-a]pyrimidine and fungicidal compositions containing thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-11-25 US disclosed
US-20040162428-A1 6-(2,6-difluorophenyl)-triazolopyrimidines as fungicides BASF AKTIENGESELLSCHAFT (DE) 2004-08-19 US disclosed
EP-1431299-A1 IMIDAZO(1,2-a)PYRIMIDINES AND FUNGICIDE COMPOSITIONS CONTAINING THE SAME Sumitomo Chemical Company, Limited (JP) 2004-06-23 EP 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-20040162428-A1 6-(2,6-difluorophenyl)-triazolopyrimidines as fungicides CBR3, CBR1, CNPY2 CES2 649/4885CES1 1377/4885SRC 909/4885
US-20040235865-A1 Imidazo[1,2-a]pyrimidine and fungicidal compositions containing thereof CBR1, NAT1, CBR3 CES2 1472/4885CES1 419/4885SRC 4249/4885

“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.