SCHEMBL12812867

SCHEMBL12812867

CCCCCCCC(O)C(O)C(CCCCCCCC(=O)O)S(=O)(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 3/20 0.57
FFAR1 O14842 3/20 0.57
GPR84 Q9NQS5 7/20 0.50
PPARG P37231 7/20 0.50
PPARD Q03181 7/20 0.50
PPARA Q07869 7/20 0.50
HDAC11 Q96DB2 5/20 0.50
TSHR P16473 4/20 0.50
PTPN1 P18031 3/20 0.50
ALDH1A1 P00352 2/20 0.50
TLR2 O60603 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
FABP4 P15090 2/20 0.50
KMT2A Q03164 2/20 0.50
SLC22A6 Q4U2R8 1/20 0.50
SLC22A8 Q8TCC7 1/20 0.50
MEN1 O00255 1/20 0.50
ESR1 P03372 1/20 0.50
ALOX15 P16050 1/20 0.50
PDE4A P27815 1/20 0.50

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
SCHEMBL15145253 1.00 FFAR4 (0.57) FFAR4FFAR1GPR84PPARGPPARD
SCHEMBL15147568 1.00 FFAR4 (0.57) FFAR4FFAR1GPR84PPARGPPARD
SCHEMBL91943 0.91 FFAR4 (0.60) FFAR4FFAR1GPR84PPARGPPARD
SCHEMBL91955 0.91 FFAR4 (0.60) FFAR4FFAR1GPR84PPARGPPARD
SCHEMBL12812568 0.89 SPHK1 (0.46) FFAR1GPR84PTPN1MAPT
SCHEMBL28542364 0.89 SPHK1 (0.46) FFAR1GPR84PTPN1MAPT
SCHEMBL16342711 0.88 FFAR4 (0.62) FFAR4FFAR1GPR84PPARGPPARD
SCHEMBL16803478 0.86 FFAR4 (0.54) FFAR4FFAR1GPR84PPARGPPARD
SCHEMBL10119660 0.85 L3MBTL1 (0.47) PPARGPPARAKMT2AMEN1MAPT
SCHEMBL720697 0.85 MEN1 (0.42) FFAR4FFAR1PPARGKMT2AMEN1

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
EP-2807244-B1 LOW TEMPERATURE SULFOPEROXYCARBOXYLIC ACID CONTAINING CLEANING COMPOSITION ECOLAB USA INC (US) 2022-01-26 EP disclosed
US-9462806-B2 Use of peroxycarboxylic acids for cold aseptic filling ECOLAB USA INC. (US) 2016-10-11 US disclosed
US-9462806-B2 Use of peroxycarboxylic acids for cold aseptic filling ECOLAB USA INC. (US) 2016-10-11 US disclosed
US-20150164071-A1 USE OF PEROXYCARBOXYLIC ACIDS FOR COLD ASEPTIC FILLING ECOLAB USA INC. (US) 2015-06-18 US disclosed
US-20150164071-A1 USE OF PEROXYCARBOXYLIC ACIDS FOR COLD ASEPTIC FILLING ECOLAB USA INC. (US) 2015-06-18 US disclosed
US-20150010646-A1 LOW TEMPERATURE SULFOPEROXYCARBOXYLIC ACID CONTAINING CLEANING COMPOSITION ECOLAB USA INC. (US) 2015-01-08 US disclosed
WO-2011036628-A2 SULFOPEROXYCARBOXYLIC ACIDS, THEIR PREPARATION AND METHODS OF USE AS BLEACHING AND ANTIMICROBIAL AGENTS ECOLAB INC. (US) 2011-03-31 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-20150164071-A1 USE OF PEROXYCARBOXYLIC ACIDS FOR COLD ASEPTIC FILLING HAO2, PRDX2, PRDX1 FFAR4 226/4885FFAR1 47/4885GPR84 3130/4885
US-20150010646-A1 LOW TEMPERATURE SULFOPEROXYCARBOXYLIC ACID CONTAINING CLEANING COMPOSITION HAO2, PRDX2, PRDX1 FFAR4 337/4885FFAR1 194/4885GPR84 2481/4885

“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.