SCHEMBL2309986

SCHEMBL2309986

C[C@@H]1CN(c2c(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)cc(C(=O)C(F)(F)F)c(F)c2F)C[C@H](C)O1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.33
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SCN9A Q15858 1/20 0.33
LRRK2 Q5S007 1/20 0.32
NPC1 O15118 2/20 0.31
MAPK1 P28482 3/20 0.31
TRPV1 Q8NER1 1/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
RAB9A P51151 3/20 0.30
MAPT P10636 2/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
SMYD2 Q9NRG4 1/20 0.30
FKBP1A P62942 1/20 0.30

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
SCHEMBL5014338 0.92 KDM4E (0.36) ALDH1A1KMT2AMEN1GAAL3MBTL1
SCHEMBL3062273 0.92 KDM4E (0.36) ALDH1A1KMT2AMEN1GAAL3MBTL1
SCHEMBL2310267 0.91 ALDH1A1 (0.34) ALDH1A1KMT2AMEN1GAAL3MBTL1
SCHEMBL5014410 0.91 ALDH1A1 (0.34) ALDH1A1KMT2AMEN1GAAL3MBTL1
SCHEMBL2307642 0.91 LRRK2 (0.34) ALDH1A1KMT2AMEN1GAAL3MBTL1
SCHEMBL2310416 0.90 MAPK1 (0.38) ALDH1A1KMT2AMEN1GAAL3MBTL1
SCHEMBL5011019 0.90 ALDH1A1 (0.35) ALDH1A1KMT2AMEN1GAAL3MBTL1
SCHEMBL2308649 0.89 ALDH1A1 (0.33) ALDH1A1KMT2AMEN1GAAL3MBTL1
SCHEMBL2308126 0.89 ALDH1A1 (0.33) ALDH1A1KMT2AMEN1GAAL3MBTL1
SCHEMBL2305806 0.89 ALDH1A1 (0.33) ALDH1A1KMT2AMEN1GAAL3MBTL1

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 8 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
WO-2010043893-A1 FUSED, SPIROCYCLIC HETEROAROMATIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2010-04-22 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 ALDH1A1 535/4885KMT2A 4283/4885MEN1 488/4885
US-20110245224-A1 FUSED, SPIROCYCLIC HETEROAROMATIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS SDHB, SDHA, RORC ALDH1A1 664/4885KMT2A 3960/4885MEN1 1594/4885
US-20140128371-A1 CHEMICAL COMPOUNDS 542 MRPL21, CFTR, CYP3A43 ALDH1A1 535/4885KMT2A 4283/4885MEN1 488/4885

“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.