SCHEMBL6035580

SCHEMBL6035580

Cn1nc(O)cc1CC(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.36
HPGD P15428 3/20 0.36
HSD17B10 Q99714 3/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.36
AKR1B1 P15121 2/20 0.35
PTGS2 P35354 2/20 0.35
CXCL8 P10145 1/20 0.35
PTGS1 P23219 1/20 0.35
GLO1 Q04760 1/20 0.35
ABCB11 O95342 1/20 0.35
LMNA P02545 2/20 0.34
PKM P14618 1/20 0.34
GAA P10253 3/20 0.33
POLB P06746 2/20 0.33
TSHR P16473 2/20 0.33
NFKB1 P19838 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
GRN P28799 1/20 0.33
SORT1 Q99523 1/20 0.33

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
SCHEMBL2827976 0.81 LMNA (0.46) KDM4EHPGDHSD17B10ALDH1A1MAPT
SCHEMBL17473347 0.79 KDM4E (0.35) KDM4EHPGDHSD17B10ALDH1A1MAPT
Hydrochloric Acid SCHEMBL27848637 0.79 GABRA5 (0.40) KDM4EHPGDHSD17B10ALDH1A1MAPT
SCHEMBL28752471 0.78 SMYD3 (0.40) KDM4EHPGDHSD17B10ALDH1A1MAPT
SCHEMBL14642681 0.75
SCHEMBL17653923 0.75 PKM (0.43) KDM4EHSD17B10ALDH1A1PTGS2PTGS1
SCHEMBL28804198 0.74 HTT (0.42) ALDH1A1LMNAGAAMEN1KMT2A
SCHEMBL17796523 0.73 CTSB (0.45) KDM4EHPGDHSD17B10ALDH1A1MAPT
SCHEMBL23403192 0.72 GPR84 (0.32) MEN1KMT2A
SCHEMBL23399240 0.71 GABRA1 (0.32) KDM4EHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103189370-B Triazole derivatives as ligands for GABA receptors HOFFMANN LA ROCHE 2015-07-08 CN disclosed
CN-102414205-B Isoxazole-pyrazole derivatives HOFFMANN LA ROCHE 2014-11-05 CN disclosed
CN-103189370-A Triazole derivatives as ligands for GABA receptors HOFFMANN LA ROCHE 2013-07-03 CN disclosed
CN-102414205-A Isoxazole-pyrazole derivatives HOFFMANN LA ROCHE 2012-04-11 CN disclosed
US-20060148858-A1 1, 2-Azole derivatives with hypoglycemic and hypolipidemic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-07-06 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-20060148858-A1 1, 2-Azole derivatives with hypoglycemic and hypolipidemic activity GPR119, SLC5A1, CYP4B1 KDM4E 509/4885HPGD 3297/4885HSD17B10 204/4885

“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.