SCHEMBL21980424

SCHEMBL21980424

CC(C)(C)[Si](C)(C)OCCn1ncc2c1C(C(=O)O)NCC2N(OCc1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 8/20 0.32
MAPK1 P28482 2/20 0.32
ALDH1A1 P00352 3/20 0.32
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
ATM Q13315 1/20 0.31
TDP1 Q9NUW8 2/20 0.31
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL21980484 0.94 MAPK1 (0.33) CCR5MAPK1ALDH1A1KMT2AMEN1
SCHEMBL20557769 0.89 MEN1 (0.31) KMT2AMEN1
SCHEMBL20557821 0.85 MEN1 (0.33) CCR5MAPK1KMT2AMEN1ATM
SCHEMBL21980448 0.83 MAPK1 (0.36) CCR5MAPK1ALDH1A1KMT2AMEN1
SCHEMBL20558005 0.82 KMT2A (0.34) CCR5MAPK1ALDH1A1KMT2AMEN1
SCHEMBL21980428 0.81 CCR5 (0.36) CCR5MAPK1ALDH1A1ATMTDP1
SCHEMBL20558166 0.69
SCHEMBL23668288 0.67 MAPK1 (0.43) CCR5MAPK1ALDH1A1KMT2AMEN1
SCHEMBL24141866 0.65 MAPK1 (0.45) CCR5MAPK1ALDH1A1KMT2AMEN1
SCHEMBL20557756 0.64 KCNA5 (0.30)

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 CCR5 313/4885MAPK1 946/4885ALDH1A1 2268/4885
US-20200165251-A1 COMPOUNDS AND METHODS FOR TREATING BACTERIAL INFECTIONS MRPL21, CFTR, C5 CCR5 313/4885MAPK1 946/4885ALDH1A1 2268/4885

“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.