SCHEMBL5445265

SCHEMBL5445265

O=C(c1ccccc1)C(O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.83
CES1 P23141 3/20 0.83
LMNA P02545 1/20 0.67
GSK3B P49841 1/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
PTPN1 P18031 1/20 0.51
ACP3 P15309 1/20 0.50
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
HSD11B1 P28845 1/20 0.48
TSHR P16473 1/20 0.48
HSD17B10 Q99714 1/20 0.48
PDPK1 O15530 1/20 0.47
CNR2 P34972 1/20 0.47
P2RX1 P51575 1/20 0.45
LDHA P00338 1/20 0.45
LDHB P07195 1/20 0.45
SRD5A2 P31213 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL5445281 0.91 CES2 (1.00) CES2CES1LMNAGSK3BPTPN1
SCHEMBL17894697 0.87 CES2 (0.63) CES2CES1LMNANPC1RAB9A
SCHEMBL17843619 0.85 CES2 (0.65) CES2CES1LMNAALDH1A1KDM4E
SCHEMBL16781996 0.83 PTPN1 (0.72) CES2CES1LMNAGSK3BNPC1
SCHEMBL6758776 0.83 ALDH1A1 (0.68) CES2CES1LMNARAB9APTPN1
SCHEMBL10465540 0.81 GSK3B (0.59) CES2CES1GSK3BNPC1RAB9A
SCHEMBL11753080 0.81 CES2 (0.56) CES2CES1LMNAGSK3BNPC1
SCHEMBL4800556 0.81 CES2 (0.56) CES2CES1GSK3BNPC1RAB9A
SCHEMBL17843621 0.81 CES2 (0.65) CES2CES1LMNAALDH1A1KDM4E
Benzoin SCHEMBL145 0.81 CES2 (1.00) CES2CES1LMNAALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070185169-A1 2-Mercapto-4,5-Diarylimidazole Derivatives and the use thereof as Cyclooxygenase Inhibitors BEIERSDORF, AG 2007-08-09 US disclosed
US-7223781-B2 2-mercapto-4,5-diarylimidazole derivatives and the use thereof as cyclooxygenase inhibitors BEIERSDORF AG (DE) 2007-05-29 US disclosed
US-20040116695-A1 2-Mercapto-4,5-diarylimidazole derivatives and the use thereof as cyclooxygenase inhibitors BEIERSDORF AG (DE) 2004-06-17 US 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-20070185169-A1 2-Mercapto-4,5-Diarylimidazole Derivatives and the use thereof as Cyclooxygenase Inhibitors PTGS2, PTGES2, DHFR CES2 1873/4885CES1 741/4885LMNA 4883/4885

“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.