SCHEMBL2357083

SCHEMBL2357083

C[C@@H]1CN(c2c(CO)ccc(F)c2F)C[C@H](C)O1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.40
HTT P42858 2/20 0.40
TDP1 Q9NUW8 2/20 0.38
MAPT P10636 1/20 0.35
ALDH1A1 P00352 6/20 0.34
KMT2A Q03164 2/20 0.34
HPGD P15428 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
GAA P10253 2/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TSHR P16473 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.33
PKM P14618 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL3751398 1.00 KDM4E (0.40) KDM4EHTTTDP1MAPTALDH1A1
SCHEMBL2306361 1.00 KDM4E (0.40) KDM4EHTTTDP1MAPTALDH1A1
SCHEMBL2310406 0.86 KDM4E (0.42) KDM4EHTTTDP1MAPTALDH1A1
SCHEMBL17451277 0.77 KDM4E (0.36) KDM4EHTTTDP1MAPTALDH1A1
SCHEMBL2306871 0.75 TSHR (0.41) KDM4EHTTMAPTALDH1A1KMT2A
SCHEMBL5014273 0.75 TSHR (0.41) KDM4EHTTMAPTALDH1A1KMT2A
SCHEMBL2305986 0.75 TSHR (0.41) KDM4EHTTMAPTALDH1A1KMT2A
SCHEMBL5011006 0.74 KDM4E (0.39) KDM4EHTTTDP1MAPTALDH1A1
SCHEMBL5014297 0.74 KDM4E (0.36) KDM4EHTTTDP1MAPTALDH1A1
SCHEMBL3069796 0.74 KDM4E (0.38) KDM4EHTTTDP1MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2350077-B1 FUSED, SPIROCYCLIC HETEROAROMATIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS ENTASIS THERAPEUTICS LTD (GB) 2016-01-27 EP disclosed
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-8658641-B2 Fused, spirocyclic heteroaromatic compounds for the treatment of bacterial infections ASTRAZENECA AB (SE) 2014-02-25 US disclosed
US-20110245224-A1 FUSED, SPIROCYCLIC HETEROAROMATIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2011-10-06 US disclosed
EP-2350077-A1 FUSED, SPIROCYCLIC HETEROAROMATIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS AstraZeneca AB (SE) 2011-08-03 EP 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 (4 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 3817/4885TDP1 4670/4885
US-20110245224-A1 FUSED, SPIROCYCLIC HETEROAROMATIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS SDHB, SDHA, RORC KDM4E 4677/4885HTT 4044/4885TDP1 4633/4885
US-20100261719-A1 CHEMICAL COMPOUNDS NCOA3, NR4A3, NR0B2 KDM4E 4486/4885HTT 2271/4885TDP1 4484/4885
US-20140128371-A1 CHEMICAL COMPOUNDS 542 MRPL21, CFTR, CYP3A43 KDM4E 4091/4885HTT 3817/4885TDP1 4670/4885

“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.