SCHEMBL19990707

SCHEMBL19990707

CC(C)(C)OC(=O)N(OCc1ccccc1)[C@@H]1CC[C@@H](C(=O)O)N(C(=O)O)C1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.43
ACE P12821 6/20 0.39
HSD11B1 P28845 1/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
FKBP1A P62942 1/20 0.36
LMNA P02545 1/20 0.36
KLK7 P49862 1/20 0.36
AGTR2 P50052 2/20 0.36
STS P08842 1/20 0.35
HTR2C P28335 1/20 0.35
SLC6A4 P31645 1/20 0.35

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
SCHEMBL19990693 0.93 L3MBTL1 (0.43) L3MBTL1ACEHSD11B1JAK2JAK1
SCHEMBL17956403 0.90 ACE (0.35) L3MBTL1ACEFKBP1ALMNAAGTR2
SCHEMBL26910204 0.87 CHRM5 (0.44) ACEFKBP1AAGTR2
SCHEMBL24358362 0.87 JAK2 (0.40) L3MBTL1ACEHSD11B1JAK2JAK1
SCHEMBL22602153 0.87 JAK2 (0.40) L3MBTL1ACEHSD11B1JAK2JAK1
SCHEMBL17956550 0.84 AGTR2 (0.39) ACEAGTR2
SCHEMBL20009192 0.82 KLK7 (0.42) L3MBTL1ACEHSD11B1JAK2JAK1
SCHEMBL17956515 0.81 FKBP1A (0.34) L3MBTL1FKBP1A
SCHEMBL3665151 0.80 AGTR2 (0.39) AGTR2
SCHEMBL19990855 0.80 UBE2M (0.42) LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3698796-B1 PHARMACEUTICAL COMBINATION OF A TRICYCLIC BETA-LACTAMASE INHIBITOR WITH SPECIFIC BETA-LACTAM ANTIBIOTICS NOVARTIS AG (CH) 2021-10-27 EP disclosed
EP-3698796-A1 PHARMACEUTICAL COMBINATION OF A TRICYCLIC BETA-LACTAMASE INHIBITOR WITH SPECIFIC BETA-LACTAM ANTIBIOTICS Novartis AG (CH) 2020-08-26 EP disclosed
EP-3519419-B1 BETA-LACTAMASE INHIBITORS NOVARTIS AG (CH) 2020-05-27 EP disclosed
US-10597396-B2 Beta-lactamase inhibitors NOVARTIS AG (CH) 2020-03-24 US disclosed
EP-3519419-A1 BETA-LACTAMASE INHIBITORS Novartis AG (CH) 2019-08-07 EP disclosed
US-20190177324-A1 BETA-LACTAMASE INHIBITORS NOVARTIS AG (CH) 2019-06-13 US disclosed
US-10065957-B2 Beta-lactamase inhibitors NOVARTIS AG (CH) 2018-09-04 US disclosed
WO-2018060926-A1 BETA-LACTAMASE INHIBITORS NOVARTIS AG (CH) 2018-04-05 WO disclosed
US-20180086762-A1 BETA-LACTAMASE INHIBITORS NOVARTIS AG (CH) 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 (4 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-20190177324-A1 BETA-LACTAMASE INHIBITORS MGAM, LCT, GAA L3MBTL1 458/4885ACE 29/4885HSD11B1 312/4885
US-10597396-B2 Beta-lactamase inhibitors MGAM, LCT, GAA L3MBTL1 458/4885ACE 29/4885HSD11B1 312/4885
US-20180086762-A1 BETA-LACTAMASE INHIBITORS MGAM, LCT, GAA L3MBTL1 458/4885ACE 29/4885HSD11B1 312/4885
US-10065957-B2 Beta-lactamase inhibitors MGAM, LCT, GAA L3MBTL1 458/4885ACE 29/4885HSD11B1 312/4885

“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.