SCHEMBL2507100

SCHEMBL2507100

C[C@@H]1CN(c2c(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)cc(C(=O)C(=O)N3CCOCC3)c(F)c2F)C[C@H](C)O1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.33
GAA P10253 2/20 0.33
PSMB5 P28074 1/20 0.32
PIK3R1 P27986 1/20 0.32
PIK3CA P42336 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 5/20 0.32
MEN1 O00255 4/20 0.32
GAK O14976 1/20 0.32
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32
MAPT P10636 2/20 0.31
POLB P06746 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
RAB9A P51151 1/20 0.31
MTOR P42345 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
SCHEMBL2306035 0.92 PSMB5 (0.31) PSMB5PIK3R1PIK3CAGAK
SCHEMBL2306032 0.92 PSMB5 (0.31) PSMB5PIK3R1PIK3CAGAK
SCHEMBL2310267 0.88 ALDH1A1 (0.34) ALDH1A1GAAKDM4ELMNAKMT2A
SCHEMBL3062273 0.87 KDM4E (0.36) ALDH1A1GAAKDM4ELMNAKMT2A
SCHEMBL5014338 0.87 KDM4E (0.36) ALDH1A1GAAKDM4ELMNAKMT2A
SCHEMBL5014410 0.87 ALDH1A1 (0.34) ALDH1A1GAAKDM4ELMNAKMT2A
SCHEMBL2307642 0.87 LRRK2 (0.34) ALDH1A1GAAKDM4ELMNAKMT2A
SCHEMBL2311969 0.86 MEN1 (0.31) ALDH1A1GAAKMT2AMEN1
SCHEMBL2312867 0.85 ALDH1A1 (0.33) ALDH1A1GAAKDM4ELMNAKMT2A
SCHEMBL2309986 0.85 ALDH1A1 (0.33) ALDH1A1GAAKDM4ELMNAKMT2A

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 6 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

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 535/4885GAA 408/4885PSMB5 2704/4885
US-20110245224-A1 FUSED, SPIROCYCLIC HETEROAROMATIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS SDHB, SDHA, RORC ALDH1A1 664/4885GAA 805/4885PSMB5 3541/4885
US-20140128371-A1 CHEMICAL COMPOUNDS 542 MRPL21, CFTR, CYP3A43 ALDH1A1 535/4885GAA 408/4885PSMB5 2704/4885

“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.