Sugi Predict

Sugi Predict / Compounds / SCHEMBL19990700

SCHEMBL19990700

SCHEMBL19990700

CC(C)(C)OC(=O)N(OCc1ccccc1)[C@@H]1C[C@@H](CCOS(C)(=O)=O)[C@@H](C(=O)Nc2cccc3cccnc23)N(C(=O)O)C1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ UBE2M P61081 1/20 0.39
▸ DCUN1D1 Q96GG9 1/20 0.39
▸ PKLR P30613 1/20 0.35
▸ EPHX2 P34913 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HDAC1 Q13547 6/20 0.34
▸ HDAC4 P56524 4/20 0.34
▸ HDAC6 Q9UBN7 4/20 0.34
▸ GAA P10253 2/20 0.34
▸ TSHR P16473 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.33
▸ TRPV1 Q8NER1 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ MAPK1 P28482 1/20 0.32

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
SCHEMBL20009194 0.95 UBE2M (0.37) UBE2MDCUN1D1PKLREPHX2LMNA
SCHEMBL19990942 0.92 UBE2M (0.40) UBE2MDCUN1D1PKLREPHX2LMNA
SCHEMBL19990701 0.88 UBE2M (0.39) UBE2MDCUN1D1PKLREPHX2LMNA
SCHEMBL20009193 0.87 UBE2M (0.38) UBE2MDCUN1D1PKLREPHX2LMNA
SCHEMBL20009191 0.83 UBE2M (0.37) UBE2MDCUN1D1PKLREPHX2LMNA
SCHEMBL19990855 0.81 UBE2M (0.42) UBE2MDCUN1D1PKLREPHX2LMNA
SCHEMBL20009190 0.78 POLB (0.43) UBE2MDCUN1D1EPHX2LMNAHDAC1
SCHEMBL23927098 0.72 UBE2M (0.42) UBE2MDCUN1D1PKLRLMNAHDAC1
SCHEMBL19990936 0.70 PKLR (0.38) PKLRLMNAGAATSHRNPSR1
SCHEMBL20009195 0.68 MAPK1 (0.39) PKLRLMNAGAATSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109843894-B Beta-lactamase inhibitors 诺华股份有限公司 2022-02-08 — — CN disclosed
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
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
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 UBE2M 752/4885DCUN1D1 3834/4885PKLR 1029/4885
US-10597396-B2 Beta-lactamase inhibitors MGAM, LCT, GAA UBE2M 752/4885DCUN1D1 3834/4885PKLR 1029/4885
US-20180086762-A1 BETA-LACTAMASE INHIBITORS MGAM, LCT, GAA UBE2M 752/4885DCUN1D1 3834/4885PKLR 1029/4885
US-10065957-B2 Beta-lactamase inhibitors MGAM, LCT, GAA UBE2M 752/4885DCUN1D1 3834/4885PKLR 1029/4885

“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.