SCHEMBL1661827

SCHEMBL1661827

C=C(OS(=O)(=O)C(F)(F)F)c1ccccc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
HPGD P15428 2/20 0.41
ALDH1A1 P00352 2/20 0.39
ALOX15 P16050 1/20 0.39
KAT6A Q92794 5/20 0.39
PTPN1 P18031 1/20 0.37
ERCC5 P28715 1/20 0.37
FEN1 P39748 1/20 0.37
GAA P10253 3/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
LMNA P02545 1/20 0.35
NPC1 O15118 2/20 0.34
MAPT P10636 2/20 0.34
RAB9A P51151 1/20 0.34
TP53 P04637 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL28564570 0.81 CES2 (0.47) CES2CES1HPGDALDH1A1ALOX15
SCHEMBL28190448 0.79 CES1 (0.41) CES2CES1ALDH1A1MEN1KMT2A
SCHEMBL13176301 0.77 ALDH1A1 (0.37) HPGDALDH1A1GAAMEN1KMT2A
SCHEMBL18319936 0.72 LMNA (0.46) CES2CES1ALDH1A1GAAKMT2A
SCHEMBL377162 0.72 CA1 (0.34) CES1HPGDALDH1A1ALOX15PTPN1
SCHEMBL7680644 0.69 CES2 (0.43) CES2CES1HPGDALDH1A1ALOX15
SCHEMBL20909541 0.67 CES2 (0.54) CES2CES1HPGDALDH1A1ALOX15
SCHEMBL777725 0.67 NPC1 (0.45) HPGDERCC5FEN1MEN1KMT2A
SCHEMBL21248267 0.66 CES2 (0.48) CES2CES1HPGDALDH1A1ALOX15
SCHEMBL6638516 0.66 LMNA (0.50) CES2CES1ALDH1A1ALOX15KAT6A

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-20250170141-A1 MRGPRX2 MODULATORS AND RELATED METHODS OF TREATMENT INCYTE CORPORATION 2025-05-29 US disclosed
WO-2025076455-A1 MRGPRX2 MODULATORS AND RELATED METHODS OF TREATMENT Escient Pharmaceuticals Inc. (US) 2025-04-10 WO disclosed
EP-2306994-B1 S1P1 RECEPTOR AGONISTS AND USE THEREOF AMGEN INC (US) 2013-08-14 EP disclosed
EP-2306994-A1 S1P1 RECEPTOR AGONISTS AND USE THEREOF Amgen, Inc (US) 2011-04-13 EP disclosed
US-7842685-B2 S1P1 receptor agonists and use thereof AMGEN INC. (US) 2010-11-30 US disclosed
US-20100029611-A1 S1P1 receptor agonists and use thereof AMGEN INC. (US) 2010-02-04 US disclosed
WO-2009154775-A1 S1P1 RECEPTOR AGONISTS AND USE THEREOF AMGEN INC. (US) 2009-12-23 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-20100029611-A1 S1P1 receptor agonists and use thereof S1PR1, S1PR5, S1PR2 CES2 3784/4885CES1 864/4885HPGD 2237/4885
US-20250170141-A1 MRGPRX2 MODULATORS AND RELATED METHODS OF TREATMENT MRGPRX2, MRGPRX1, MRGPRX4 CES2 1936/4885CES1 700/4885HPGD 1357/4885

“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.