SCHEMBL16653579

SCHEMBL16653579

CCOC(=O)CC(=O)N1CCC(O)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.54
GAA P10253 3/20 0.47
MGAM O43451 1/20 0.47
SI P14410 1/20 0.47
MGAM2 Q2M2H8 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
POLB P06746 3/20 0.45
TSHR P16473 2/20 0.45
LMNA P02545 1/20 0.45
ALDH1A1 P00352 4/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
THRB P10828 1/20 0.44
ATM Q13315 1/20 0.44
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
RAB9A P51151 1/20 0.42
NOS3 P29474 1/20 0.42
NOS2 P35228 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL7011395 0.83 ALOX15 (0.51) ALOX15GAAMGAMSIMGAM2
SCHEMBL14902188 0.83 GAA (0.48) ALOX15GAATDP1POLBTSHR
SCHEMBL8892219 0.82 ALOX15 (0.50) ALOX15GAAMGAMSIMGAM2
SCHEMBL16653372 0.82 ALOX15 (0.50) ALOX15GAAMGAMSIMGAM2
SCHEMBL11191041 0.82 ALOX15 (0.56) ALOX15GAAMGAMSIMGAM2
SCHEMBL11191103 0.80 ALOX15 (0.54) ALOX15GAAMGAMSIMGAM2
SCHEMBL9527006 0.80 ALOX15 (0.54) ALOX15GAAMGAMSIMGAM2
SCHEMBL1219954 0.80 GAA (0.65) GAATDP1POLBTSHRALDH1A1
SCHEMBL12496081 0.79 ALOX15 (0.53) ALOX15GAAMGAMSIMGAM2
SCHEMBL5203267 0.79 ALOX15 (0.53) ALOX15GAAMGAMSIMGAM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3059239-B1 SULFUR-CONTAINING BICYCLIC COMPOUND ASTELLAS PHARMA INC (JP) 2018-06-27 EP disclosed
EP-3059239-B1 SULFUR-CONTAINING BICYCLIC COMPOUND ASTELLAS PHARMA INC (JP) 2018-06-27 EP disclosed
US-9642852-B2 Sulfur-containing bicyclic compound ASTELLAS PHARMA INC. (JP) 2017-05-09 US disclosed
US-9642852-B2 Sulfur-containing bicyclic compound ASTELLAS PHARMA INC. (JP) 2017-05-09 US disclosed
EP-3059239-A1 SULFUR-CONTAINING BICYCLIC COMPOUND Astellas Pharma Inc. (JP) 2016-08-24 EP disclosed
EP-3059239-A1 SULFUR-CONTAINING BICYCLIC COMPOUND Astellas Pharma Inc. (JP) 2016-08-24 EP disclosed
US-20150231138-A1 SULFUR-CONTAINING BICYCLIC COMPOUND ASTELLAS PHARMA INC. (JP) 2015-08-20 US disclosed
US-20150231138-A1 SULFUR-CONTAINING BICYCLIC COMPOUND ASTELLAS PHARMA INC. (JP) 2015-08-20 US disclosed
US-9051339-B2 Sulfur-containing bicyclic compound ASTELLAS PHARMA INC. (JP) 2015-06-09 US disclosed
US-9051339-B2 Sulfur-containing bicyclic compound ASTELLAS PHARMA INC. (JP) 2015-06-09 US disclosed
US-20150111876-A1 SULFUR-CONTAINING BICYCLIC COMPOUND ASTELLAS PHARMA INC. (JP) 2015-04-23 US disclosed
US-20150111876-A1 SULFUR-CONTAINING BICYCLIC COMPOUND ASTELLAS PHARMA INC. (JP) 2015-04-23 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 (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-20150111876-A1 SULFUR-CONTAINING BICYCLIC COMPOUND GABRB1, GABRA1, GABBR1 ALOX15 3761/4885GAA 1618/4885MGAM 4048/4885
US-20150231138-A1 SULFUR-CONTAINING BICYCLIC COMPOUND GABBR1, GABRB1, GRIN2C ALOX15 3166/4885GAA 2600/4885MGAM 4579/4885

“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.