SCHEMBL19978880

SCHEMBL19978880

CCCCCCOC(=O)[C@H](F)Br

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.53
EPHX1 P07099 1/20 0.50
FAAH O00519 1/20 0.49
TSHR P16473 3/20 0.48
ZDHHC7 Q9NXF8 1/20 0.47
MAPT P10636 1/20 0.47
HCAR2 Q8TDS4 1/20 0.46
RAD52 P43351 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
ACHE P22303 6/20 0.44
DGKA P23743 1/20 0.44

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
SCHEMBL19978677 1.00 NAAA (0.53) NAAAEPHX1FAAHTSHRZDHHC7
SCHEMBL19978675 1.00 NAAA (0.53) NAAAEPHX1FAAHTSHRZDHHC7
SCHEMBL19978763 0.98 NAAA (0.50) NAAAEPHX1FAAHTSHRZDHHC7
SCHEMBL19978761 0.98 NAAA (0.50) NAAAEPHX1FAAHTSHRZDHHC7
SCHEMBL19979040 0.92 ALDH1A1 (0.52) NAAAEPHX1FAAHTSHRZDHHC7
SCHEMBL19979041 0.92 ALDH1A1 (0.52) NAAAEPHX1FAAHTSHRZDHHC7
SCHEMBL4248770 0.83 NAAA (0.57) NAAAEPHX1FAAHTSHRZDHHC7
SCHEMBL987073 0.83 NAAA (0.57) NAAAEPHX1FAAHTSHRZDHHC7
SCHEMBL19978742 0.83
SCHEMBL19978743 0.83

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
CN-114591223-B Beta-lactamase inhibitor compounds 恩塔西斯治疗有限公司 2025-01-24 CN disclosed
EP-3512851-B1 BETA-LACTAMASE INHIBITOR COMPOUNDS ENTASIS THERAPEUTICS LTD (GB) 2022-07-06 EP disclosed
US-10800778-B2 Beta-lactamase inhibitor compounds ENTASIS THERAPEUTICS LIMITED (GB) 2020-10-13 US disclosed
US-20190202832-A1 BETA-LACTAMASE INHIBITOR COMPOUNDS ENTASIS THERAPEUTICS LIMITED (GB) 2019-07-04 US disclosed
WO-2018053215-A1 BETA-LACTAMASE INHIBITOR COMPOUNDS ENTASIS THERAPEUTICS LIMITED (GB) 2018-03-22 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-20190202832-A1 BETA-LACTAMASE INHIBITOR COMPOUNDS LCT, MGAM, MRPL21 NAAA 196/4885EPHX1 2194/4885FAAH 3055/4885
US-10800778-B2 Beta-lactamase inhibitor compounds LCT, MGAM, MRPL21 NAAA 196/4885EPHX1 2194/4885FAAH 3055/4885

“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.