SCHEMBL2308301

SCHEMBL2308301

C[C@@H]1CN(c2c(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)ccc(F)c2F)C[C@@H](C)O1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.33
HTT P42858 2/20 0.33
PKM P14618 1/20 0.33
ALDH1A1 P00352 8/20 0.32
MEN1 O00255 4/20 0.32
KMT2A Q03164 4/20 0.32
TSHR P16473 3/20 0.32
SMYD2 Q9NRG4 2/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
GAA P10253 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
OPRK1 P41145 1/20 0.32
MAPK1 P28482 1/20 0.31
HSD17B10 Q99714 1/20 0.31
FFAR2 O15552 2/20 0.31
LMNA P02545 1/20 0.31
ATM Q13315 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
HPGD P15428 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
SCHEMBL5012706 1.00 KDM4E (0.33) KDM4EHTTPKMALDH1A1MEN1
SCHEMBL2307090 1.00 KDM4E (0.33) KDM4EHTTPKMALDH1A1MEN1
SCHEMBL2506037 0.90 KDM4E (0.33) KDM4EHTTPKMALDH1A1MEN1
SCHEMBL2312254 0.90 KDM4E (0.33) KDM4EHTTPKMALDH1A1MEN1
SCHEMBL3344886 0.86 ALDH1A1 (0.31) KDM4EHTTPKMALDH1A1MEN1
SCHEMBL17354049 0.84 KDM4E (0.36) KDM4EHTTPKMALDH1A1MEN1
SCHEMBL3068264 0.84 ALDH1A1 (0.35) KDM4EHTTALDH1A1MEN1KMT2A
SCHEMBL5054243 0.83 ALDH1A1 (0.33) KDM4EHTTPKMALDH1A1MEN1
SCHEMBL5015624 0.82 ALDH1A1 (0.32) KDM4EHTTALDH1A1MEN1KMT2A
SCHEMBL2305796 0.82 ALDH1A1 (0.33) KDM4EHTTPKMALDH1A1MEN1

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 KDM4E 4091/4885HTT 3817/4885PKM 1591/4885
US-20110245224-A1 FUSED, SPIROCYCLIC HETEROAROMATIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS SDHB, SDHA, RORC KDM4E 4677/4885HTT 4044/4885PKM 2970/4885
US-20140128371-A1 CHEMICAL COMPOUNDS 542 MRPL21, CFTR, CYP3A43 KDM4E 4091/4885HTT 3817/4885PKM 1591/4885

“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.