SCHEMBL3388745

SCHEMBL3388745

CCOC(=O)CC(=O)CSCC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.56
MGAM O43451 1/20 0.56
SI P14410 1/20 0.56
MGAM2 Q2M2H8 1/20 0.56
HSD17B10 Q99714 2/20 0.54
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
ALDH1A1 P00352 6/20 0.41
TRPA1 O75762 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPK1 P28482 2/20 0.40
HTT P42858 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 3/20 0.40
TDP1 Q9NUW8 2/20 0.40

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
SCHEMBL9824473 0.90 GAA (0.50) GAAMGAMSIMGAM2HSD17B10
SCHEMBL10959041 0.86 GAA (0.54) GAAMGAMSIMGAM2HSD17B10
SCHEMBL10959422 0.83 HSD17B10 (0.48) GAAMGAMSIMGAM2HSD17B10
SCHEMBL11469819 0.83 GAA (0.42) GAAMGAMSIMGAM2HSD17B10
SCHEMBL11451516 0.82 HSD17B10 (0.50) GAAMGAMSIMGAM2HSD17B10
SCHEMBL1359006 0.82
SCHEMBL3387467 0.81 GAA (0.58) GAAMGAMSIMGAM2HSD17B10
SCHEMBL11461854 0.80 GAA (0.52) GAAMGAMSIMGAM2HSD17B10
SCHEMBL8866115 0.80 CES2 (0.55) GAAMGAMSIMGAM2HSD17B10
SCHEMBL155563 0.79 GAA (0.78) GAAMGAMSIMGAM2HSD17B10

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-20100298343-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AMIRA PHARMACEUTICALS, INC. 2010-11-25 US disclosed
US-20100298343-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AMIRA PHARMACEUTICALS, INC. 2010-11-25 US disclosed
EP-2207547-A2 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS Amira Pharmaceuticals, Inc. (US) 2010-07-21 EP disclosed
WO-2009045700-A2 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AMIRA PHARMACEUTICALS, INC. (US) 2009-04-09 WO disclosed
US-4188395-A 1,4-Dihydropyridine derivatives substituted in the 2 position, and their use as medicaments BAYER AKTIENGESELLSCHAFT (DE) 1980-02-12 US disclosed
US-4168304-A ARTHROPODICIDES, NEMATOCIDES BAYER AKTIENGESELLSCHAFT (DE) 1979-09-18 US disclosed
US-4120956-A Combating arthropods with 3-alkoxymethyl- and-alkylthiomethyl-pyrazol(5)yl(thiono)(thiol)-phosphoric(phosphonic) acid esters and ester-amides BAYER AKTIENGESELLSCHAFT (DE) 1978-10-17 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-20100298343-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS ALOX5, ALOX15B, ALOX15 GAA 2900/4885MGAM 2927/4885SI 3639/4885

“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.