SCHEMBL3066491

SCHEMBL3066491

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

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.36
HTT P42858 1/20 0.36
ALDH1A1 P00352 6/20 0.33
NPSR1 Q6W5P4 2/20 0.33
GAA P10253 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TSHR P16473 1/20 0.33
HPGD P15428 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
NPC1 O15118 1/20 0.31
PIK3R1 P27986 1/20 0.31
PIK3CA P42336 1/20 0.31
MTOR P42345 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PRKDC P78527 2/20 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
SCHEMBL3701209 0.84 KDM4E (0.36) KDM4EHTTALDH1A1NPSR1GAA
SCHEMBL2309754 0.84 KDM4E (0.36) KDM4EHTTALDH1A1NPSR1GAA
SCHEMBL3062622 0.82 KDM4E (0.35) KDM4EHTTALDH1A1NPSR1SMN1; SMN2
SCHEMBL3062619 0.82 KDM4E (0.35) KDM4EHTTALDH1A1NPSR1SMN1; SMN2
SCHEMBL3070288 0.80 NPC1 (0.33) KDM4EHTTALDH1A1GAASMN1; SMN2
SCHEMBL3070291 0.80 NPC1 (0.33) KDM4EHTTALDH1A1GAASMN1; SMN2
SCHEMBL3069796 0.80 KDM4E (0.38) KDM4EHTTALDH1A1NPSR1GAA
SCHEMBL2309750 0.80 TSHR (0.38) KDM4EHTTALDH1A1NPSR1GAA
SCHEMBL3060253 0.79 RAB9A (0.40) KDM4EHTTALDH1A1GAASMN1; SMN2
SCHEMBL3060249 0.79 RAB9A (0.40) KDM4EHTTALDH1A1GAASMN1; SMN2

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-20150368266-A1 CHEMICAL COMPOUNDS 542 ENTASIS THERAPEUTICS INC. 2015-12-24 US disclosed
US-9040528-B2 Chemical compounds 542 ASTRAZENECA AB (SE) 2015-05-26 US disclosed
US-20140128371-A1 CHEMICAL COMPOUNDS 542 ASTRAZENECA AB (SE) 2014-05-08 US disclosed
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-2010043893-A1 FUSED, SPIROCYCLIC HETEROAROMATIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2010-04-22 WO 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 (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-20150368266-A1 CHEMICAL COMPOUNDS 542 MRPL21, CFTR, CYP3A43 KDM4E 4091/4885HTT 3817/4885ALDH1A1 535/4885
US-20100261719-A1 CHEMICAL COMPOUNDS NCOA3, NR4A3, NR0B2 KDM4E 4486/4885HTT 2271/4885ALDH1A1 2604/4885
US-20140128371-A1 CHEMICAL COMPOUNDS 542 MRPL21, CFTR, CYP3A43 KDM4E 4091/4885HTT 3817/4885ALDH1A1 535/4885

“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.