SCHEMBL3073265

SCHEMBL3073265

C[C@@H]1CN(c2c(C=O)cc(C(=O)O)c(F)c2F)C[C@H](C)O1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.38
TSHR P16473 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.36
MAPT P10636 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 4/20 0.33
NPC1 O15118 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PKM P14618 1/20 0.33
MAPK1 P28482 1/20 0.33
GAK O14976 1/20 0.32
HPGD P15428 2/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
USP30 Q70CQ3 1/20 0.31

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
SCHEMBL2305202 0.90 TSHR (0.38) KDM4ETSHRLMNAHTTMAPT
SCHEMBL2305463 0.86 TSHR (0.36) KDM4ETSHRHTTMAPTALDH1A1
SCHEMBL2310203 0.86 ALDH1A1 (0.45) KDM4ELMNAMAPTMEN1KMT2A
SCHEMBL4506693 0.80 KDM4E (0.39) KDM4ETSHRHTTMAPTKMT2A
SCHEMBL5015622 0.80 KDM4E (0.39) KDM4ETSHRHTTMAPTKMT2A
SCHEMBL3056872 0.80 KDM4E (0.39) KDM4ETSHRHTTMAPTKMT2A
SCHEMBL3060327 0.80 KDM4E (0.39) KDM4ETSHRHTTMAPTKMT2A
SCHEMBL3069796 0.80 KDM4E (0.38) KDM4ETSHRLMNAHTTMAPT
SCHEMBL2312015 0.79 KDM4E (0.39) KDM4ETSHRHTTMAPTNPC1
SCHEMBL2308280 0.79 SCN9A (0.40) KDM4ELMNAHTTMAPTMEN1

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-20100261719-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2010-10-14 US disclosed
EP-2193132-A2 3-SPIROPYRIMIDINETRIONE-QUINOLINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS AstraZeneca AB (SE) 2010-06-09 EP disclosed
WO-2009004382-A2 3-SPIROPYRIMIDINETRIONE-QUINOLINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2009-01-08 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 (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-20100261719-A1 CHEMICAL COMPOUNDS NCOA3, NR4A3, NR0B2 KDM4E 4486/4885TSHR 172/4885LMNA 1367/4885

“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.