SCHEMBL21980484

SCHEMBL21980484

COC(=O)C1NCC(N(OCc2ccccc2)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2cnn(CCO[Si](C)(C)C(C)(C)C)c21

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.33
CCR5 P51681 5/20 0.32
ATM Q13315 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
MAPT P10636 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL21980424 0.94 CCR5 (0.32) MAPK1CCR5ATMTDP1MEN1
SCHEMBL21980448 0.89 MAPK1 (0.36) MAPK1CCR5ATMTDP1OPRM1
SCHEMBL20557769 0.87 MEN1 (0.31) MEN1KMT2A
SCHEMBL20557821 0.84 MEN1 (0.33) MAPK1CCR5ATMMEN1KMT2A
SCHEMBL20558005 0.80 KMT2A (0.34) MAPK1CCR5ATMTDP1MEN1
SCHEMBL21980428 0.79 CCR5 (0.36) MAPK1CCR5ATMTDP1MAPT
SCHEMBL20558166 0.77
SCHEMBL24141866 0.70 MAPK1 (0.45) MAPK1CCR5ATMTDP1MEN1
SCHEMBL22030711 0.66
SCHEMBL30586123 0.66

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11046694-B2 Compounds and methods for treating bacterial infections ENTASIS THERAPEUTICS, INC. (US) 2021-06-29 US disclosed
US-20200165251-A1 COMPOUNDS AND METHODS FOR TREATING BACTERIAL INFECTIONS ENTASIS THERAPEUTICS, INC. 2020-05-28 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-11046694-B2 Compounds and methods for treating bacterial infections MRPL21, CFTR, C5 MAPK1 946/4885CCR5 313/4885ATM 2836/4885
US-20200165251-A1 COMPOUNDS AND METHODS FOR TREATING BACTERIAL INFECTIONS MRPL21, CFTR, C5 MAPK1 946/4885CCR5 313/4885ATM 2836/4885

“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.