SCHEMBL20557553

SCHEMBL20557553

O=C(O)[C@@H]1c2c(cnn2CC(O)O)[C@@H]2CN1C(=O)N2OCc1ccccc1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 3/20 0.32
POLB P06746 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
MCHR1 Q99705 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
SCHEMBL22030700 0.91 KCNA5 (0.32) KCNA5POLBCYP3A4CYP2C9CYP2C19
SCHEMBL20557547 0.89 KCNA5 (0.33) KCNA5POLBCYP3A4CYP2C9CYP2C19
SCHEMBL5253690 0.89 KCNA5 (0.35) KCNA5POLBCYP3A4CYP2C9CYP2C19
SCHEMBL4697841 0.88 KCNA5 (0.32) KCNA5POLBCYP3A4CYP2C9CYP2C19
SCHEMBL4697845 0.88 KCNA5 (0.32) KCNA5POLBCYP3A4CYP2C9CYP2C19
SCHEMBL4696891 0.85 KCNA5 (0.33) KCNA5POLBCYP3A4CYP2C9CYP2C19
SCHEMBL4696887 0.85 KCNA5 (0.33) KCNA5POLBCYP3A4CYP2C9CYP2C19
SCHEMBL20557817 0.84 KCNA5 (0.36) KCNA5POLBCYP3A4CYP2C9CYP2C19
SCHEMBL2066952 0.84 KCNA5 (0.36) KCNA5POLBCYP3A4CYP2C9CYP2C19
SCHEMBL20557778 0.84 PLA2G10 (0.39) KCNA5POLBCYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3630111-B1 COMPOUNDS AND METHODS FOR TREATING BACTERIAL INFECTIONS ENTASIS THERAPEUTICS INC (US) 2021-11-24 EP disclosed
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
EP-3630111-A1 COMPOUNDS AND METHODS FOR TREATING BACTERIAL INFECTIONS Entasis Therapeutics, Inc. (US) 2020-04-08 EP disclosed
WO-2018208769-A1 COMPOUNDS AND METHODS FOR TREATING BACTERIAL INFECTIONS ENTASIS THERAPEUTICS, INC. (US) 2018-11-15 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 (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 KCNA5 1510/4885POLB 2645/4885CYP3A4 1679/4885
US-20200165251-A1 COMPOUNDS AND METHODS FOR TREATING BACTERIAL INFECTIONS MRPL21, CFTR, C5 KCNA5 1510/4885POLB 2645/4885CYP3A4 1679/4885

“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.