SCHEMBL333118

SCHEMBL333118

CCOC(=O)COC(C)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
MGAM O43451 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
ALDH1A1 P00352 3/20 0.41
TRPA1 O75762 1/20 0.41
NLRP3 Q96P20 5/20 0.37
TSHR P16473 1/20 0.37
CYP1A2 P05177 1/20 0.36
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
CYP2D6 P10635 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
KCNH2 Q12809 1/20 0.35
ALOX15 P16050 1/20 0.34
SOAT1 P35610 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
SCHEMBL21904376 1.00 GAA (0.44) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL21904277 1.00 GAA (0.44) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL28885641 0.85 GAA (0.46) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL11798942 0.85 GAA (0.46) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL28367591 0.85 GAA (0.46) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL3841888 0.81 GAA (0.46) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL3248904 0.80 GAA (0.50) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL21578793 0.78 GAA (0.48) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL31634142 0.78 TSHR (0.40) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL10837934 0.78 GAA (0.48) GAAMGAMSIMGAM2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11052076-B2 Spirocyclic indolines as IL-17 modulators UCB Biopharma SRL (BE) 2021-07-06 US disclosed
US-20200138797-A1 Spirocyclic Indolines as IL-17 Modulators UCB Biopharma SRL (BE) 2020-05-07 US disclosed
US-8097733-B2 Pyrazole derivatives as 5-LO-inhibitors PFIZER INC. (US) 2012-01-17 US disclosed
EP-2225229-A1 PYRAZOLE DERIVATIVES AS 5-LO INHIBITORS Pfizer Inc. (US) 2010-09-08 EP disclosed
US-20090227634-A1 Pyrazole Derivatives as 5-LO-Inhibitors PFIZER INC. 2009-09-10 US disclosed
WO-2009069044-A1 PYRAZOLE DERIVATIVES AS 5-LO INHIBITORS PFIZER INC. (US) 2009-06-04 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 (3 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-11052076-B2 Spirocyclic indolines as IL-17 modulators IL17A, IL2, IL18 GAA 4668/4885MGAM 4598/4885SI 3353/4885
US-20200138797-A1 Spirocyclic Indolines as IL-17 Modulators IL17A, IL2, IL18 GAA 4668/4885MGAM 4598/4885SI 3353/4885
US-20090227634-A1 Pyrazole Derivatives as 5-LO-Inhibitors ALOX5, ALOX15, CYP3A5 GAA 1020/4885MGAM 2365/4885SI 1594/4885

“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.