SCHEMBL5447109

SCHEMBL5447109

CCc1cc(F)ccc1C(=O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.47
CES1 P23141 2/20 0.47
MAPT P10636 5/20 0.44
HTT P42858 3/20 0.44
LMNA P02545 3/20 0.44
ALOX15 P16050 2/20 0.44
MAPK1 P28482 2/20 0.44
HSD17B10 Q99714 2/20 0.44
KDM4E B2RXH2 1/20 0.44
TP53 P04637 1/20 0.44
PKM P14618 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KEAP1 Q14145 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
RIPK1 Q13546 1/20 0.39
XBP1 P17861 1/20 0.38
HIF1A Q16665 1/20 0.38
HSD17B1 P14061 1/20 0.38
KDM5A P29375 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
SCHEMBL65008 0.85 KEAP1 (0.50) CES2CES1MAPTHTTLMNA
Hydrochloric Acid SCHEMBL29118324 0.83 KEAP1 (0.48) CES2CES1MAPTHTTLMNA
SCHEMBL5188661 0.82 CES2 (0.47) CES2CES1MAPTHTTLMNA
SCHEMBL167162 0.79 CSNK2A1 (0.41) CES2CES1MAPTHTTALOX15
SCHEMBL19695738 0.79 MAPK8 (0.44) CES2CES1MAPTHTTLMNA
SCHEMBL696316 0.78 ALDH1A1 (0.50) CES2MAPTALOX15MAPK1KDM4E
SCHEMBL836181 0.77 CES2 (0.50) CES2CES1KDM4EKEAP1
SCHEMBL22117367 0.76 RAB9A (0.47) CES2CES1MAPTHTTLMNA
SCHEMBL12489097 0.76 FFAR4 (0.47) CES2CES1MAPTLMNAHSD17B10
SCHEMBL7715988 0.76 CES2 (0.79) CES2CES1LMNAHSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070043000-A1 Immunosuppresive effects of pteridine derivatives 4 AZA BIOSCIENCE NV (BE) 2007-02-22 US disclosed
EP-1636232-A2 IMMUNOSUPPRESSIVE EFFECTS OF PTERIDINE DERIVATIVES 4 AZA Bioscience nv (BE) 2006-03-22 EP disclosed
WO-2004104005-A2 IMMUNOSUPPRESSIVE EFFECTS OF PTERIDINE DERIVATIVES 4 AZA BIOSCIENCE NV (BE) 2004-12-02 WO disclosed
EP-1479682-A1 Immunosuppressive effects of pteridine derivatives 4 AZA Bioscience nv (BE) 2004-11-24 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 (1 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-20070043000-A1 Immunosuppresive effects of pteridine derivatives TPMT, FKBP5, RRP15 CES2 4256/4885CES1 4159/4885MAPT 378/4885

“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.