SCHEMBL19990063

SCHEMBL19990063

C=CCON(C1CN(C(=O)OC(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)C=C1I)S(=O)(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MET P08581 2/20 0.34
BCL2 P10415 1/20 0.32
BCL2L1 Q07817 1/20 0.32
MCL1 Q07820 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
F13A1 P00488 1/20 0.30
TGM2 P21980 1/20 0.30
TGM1 P22735 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
SCHEMBL19990062 1.00 MET (0.34) METBCL2BCL2L1MCL1MEN1
SCHEMBL19990061 1.00 MET (0.34) METBCL2BCL2L1MCL1MEN1
SCHEMBL16553194 0.93 MET (0.33) METBCL2BCL2L1MCL1MEN1
SCHEMBL29593959 0.93 MET (0.33) METBCL2BCL2L1MCL1MEN1
SCHEMBL15320316 0.93 MET (0.33) METBCL2BCL2L1MCL1MEN1
SCHEMBL16552835 0.92 BCL2 (0.33) METBCL2BCL2L1MCL1MEN1
SCHEMBL15320184 0.92 MET (0.32) METBCL2BCL2L1MCL1MEN1
SCHEMBL16552836 0.92 BCL2 (0.33) METBCL2BCL2L1MCL1MEN1
SCHEMBL15320102 0.92 MET (0.32) METBCL2BCL2L1MCL1MEN1
SCHEMBL16552670 0.92 MET (0.32) METBCL2BCL2L1MCL1MEN1

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-3300736-B1 COMPOSITION COMPRISING ANTIBIOTIC COMPOUND AND AN HETEROCYCLIC COMPOUND AND THEIR USE IN PREVENTING OR TREATING BACTERIAL INFECTIONS MUTABILIS (FR) 2021-05-05 EP disclosed
EP-3277686-B1 NOVEL HETEROCYCLIC COMPOUNDS AND THEIR USE IN PREVENTING OR TREATING BACTERIAL INFECTIONS MUTABILIS (FR) 2020-07-22 EP disclosed
US-10072006-B2 Heterocyclic compounds and their use in preventing or treating bacterial infections MUTABILIS (FR) 2018-09-11 US disclosed
WO-2018060484-A1 COMPOSITION COMPRISING ANTIBIOTIC COMPOUND AND AN HETEROCYCLIC COMPOUND AND THEIR USE IN PREVENTING OR TREATING BACTERIAL INFECTIONS MUTABILIS (FR) 2018-04-05 WO disclosed
EP-3300736-A1 COMPOSITION COMPRISING ANTIBIOTIC COMPOUND AND AN HETEROCYCLIC COMPOUND AND THEIR USE IN PREVENTING OR TREATING BACTERIAL INFECTIONS Mutabilis (FR) 2018-04-04 EP disclosed
US-20180086761-A1 NOVEL HETEROCYCLIC COMPOUNDS AND THEIR USE IN PREVENTING OR TREATING BACTERIAL INFECTIONS MUTABILIS (FR) 2018-03-29 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 (2 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-10072006-B2 Heterocyclic compounds and their use in preventing or treating bacterial infections NQO1, PEPD, LCT MET 4046/4885BCL2 463/4885BCL2L1 472/4885
US-20180086761-A1 NOVEL HETEROCYCLIC COMPOUNDS AND THEIR USE IN PREVENTING OR TREATING BACTERIAL INFECTIONS NQO1, PEPD, BBOX1 MET 3768/4885BCL2 463/4885BCL2L1 375/4885

“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.