SCHEMBL4652352

SCHEMBL4652352

CC(CC(=O)O)c1ccc(OS(=O)(=O)C(F)(F)F)cc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 2/20 0.57
CXCR1 P25024 1/20 0.56
FFAR1 O14842 9/20 0.51
FFAR4 Q5NUL3 1/20 0.51
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
PLA2G10 O15496 2/20 0.40
PLA2G2A P14555 2/20 0.40
PLA2G5 P39877 2/20 0.40
EEF2K O00418 1/20 0.40
LTB4R Q15722 1/20 0.39
LTB4R2 Q9NPC1 1/20 0.39
PPARG P37231 1/20 0.38
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HSD11B1 P28845 1/20 0.38

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
SCHEMBL13147702 0.84 CXCR2 (0.56) CXCR2CXCR1FFAR1FFAR4ALDH1A1
SCHEMBL12895102 0.81 FFAR1 (0.53) FFAR1FFAR4ALDH1A1TSHRPLA2G10
SCHEMBL12836583 0.81 FFAR1 (0.53) FFAR1FFAR4ALDH1A1TSHRPLA2G10
SCHEMBL1345636 0.80 CXCR2 (0.69) CXCR2CXCR1TSHR
SCHEMBL1820095 0.80 CXCR2 (0.69) CXCR2CXCR1TSHR
SCHEMBL245190 0.80 CXCR2 (0.69) CXCR2CXCR1TSHR
SCHEMBL29408396 0.79 FFAR1 (0.64) FFAR1
SCHEMBL17669284 0.79 FFAR1 (0.64) FFAR1
SCHEMBL8417761 0.79 FFAR1 (0.41) CXCR2CXCR1FFAR1FFAR4PLA2G10
SCHEMBL16172609 0.79 CXCR2 (0.59) CXCR2CXCR1ALDH1A1POLBHSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1408986-B1 PROTEOMIMETIC COMPOUNDS AND METHODS UNIV YALE (US) 2008-09-24 EP disclosed
US-7312246-B2 Proteomimetic compounds and methods YALE UNIVERSITY (US) 2007-12-25 US disclosed
EP-1408986-A4 PROTEOMIMETIC COMPOUNDS AND METHODS UNIV YALE (US) 2006-01-11 EP disclosed
US-20050215563-A1 Proteomimetic compounds and methods YALE UNIVERSITY 2005-09-29 US disclosed
US-6858600-B2 Proteomimetic compounds and methods YALE UNIVERSITY (US) 2005-02-22 US disclosed
EP-1408986-A2 PROTEOMIMETIC COMPOUNDS AND METHODS YALE UNIVERSITY (US) 2004-04-21 EP disclosed
US-20030008882-A1 Proteomimetic compounds and methods NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-01-09 US disclosed
WO-2002089738-A2 PROTEOMIMETIC COMPOUNDS AND METHODS YALE UNIVERSITY (US) 2002-11-14 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-20030008882-A1 Proteomimetic compounds and methods PACSIN2, HSP90B1, PHLPP2 CXCR2 1784/4885CXCR1 2462/4885FFAR1 4283/4885
US-20050215563-A1 Proteomimetic compounds and methods PACSIN2, HSP90B1, PHLPP2 CXCR2 1784/4885CXCR1 2462/4885FFAR1 4283/4885

“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.